REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3oqc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDILFRIRGG FDLAFQLAPP KEMFIKNALR QVLSDLTTKL SSDALVLRVC DATA SEQUENCE NSXXXLWPNS DXXXGELTDS SACKNVVRFI XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXTQQIVNID LMLEISXXXX XXXXXXXXXX XXXHYINMSL PIDAVVSVAP DATA SEQUENCE EESWGKVRKL LVDAILRQLV DVEKCILRYM KGTSIVVPEP LHFQLPGKKN DATA SEQUENCE LVTVLYPSGI PDDQLQAYRK ELHDLFNLPH DRPYFKRINA YHFPDELYKD DATA SEQUENCE GYIRNPHTYL SPPNIEGSMI CVVQGTYAYH HYMQDRIDDN GWGSAYRSLQ DATA SEQUENCE TICSWFRHQG YTERSIPTHR EIQQALVDAG DKPATFVGSR QWIGSIEVQM DATA SEQUENCE VLNQLIGVTS KILFVNQGSE MASQGRELAN HFQNVGTPVM VGGGVLAHTI DATA SEQUENCE LGVAWNETTG QIKFLILDPH YTGAEDLQVM LEKGWCGWKS PDFWNKDAYY DATA SEQUENCE NLCLPQRPNA L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 D N 0.295 120.688 120.400 -0.012 0.000 3.148 2 D HA 0.465 5.109 4.640 0.006 0.000 0.288 2 D C -1.987 174.284 176.300 -0.047 0.000 1.079 2 D CA -0.411 53.581 54.000 -0.014 0.000 0.719 2 D CB 1.406 42.199 40.800 -0.011 0.000 1.413 2 D HN 0.515 nan 8.370 nan 0.000 0.466 3 I N 1.846 122.376 120.570 -0.067 0.000 2.389 3 I HA 0.530 4.703 4.170 0.006 0.000 0.288 3 I C -1.529 174.404 176.117 -0.307 0.000 0.999 3 I CA -0.628 60.557 61.300 -0.192 0.000 1.129 3 I CB 1.313 39.204 38.000 -0.181 0.000 1.288 3 I HN 0.339 nan 8.210 nan 0.000 0.444 4 L N 8.680 129.697 121.223 -0.344 0.000 2.287 4 L HA 0.606 4.950 4.340 0.006 0.000 0.287 4 L C -1.542 175.126 176.870 -0.338 0.000 1.022 4 L CA 0.085 54.788 54.840 -0.229 0.000 0.814 4 L CB 0.654 42.667 42.059 -0.076 0.000 1.217 4 L HN 0.328 nan 8.230 nan 0.000 0.420 5 F N 4.249 124.198 119.950 -0.002 0.000 2.410 5 F HA 0.566 5.097 4.527 0.006 0.000 0.349 5 F C 0.418 176.185 175.800 -0.056 0.000 1.117 5 F CA -0.443 57.547 58.000 -0.017 0.000 1.104 5 F CB 1.177 40.175 39.000 -0.004 0.000 1.122 5 F HN 0.432 nan 8.300 nan 0.000 0.483 6 R N 4.588 125.130 120.500 0.070 0.000 2.312 6 R HA 0.440 4.784 4.340 0.006 0.000 0.310 6 R C -1.455 174.825 176.300 -0.033 0.000 1.064 6 R CA -0.321 55.744 56.100 -0.058 0.000 0.983 6 R CB -0.020 30.145 30.300 -0.226 0.000 1.139 6 R HN 0.473 nan 8.270 nan 0.000 0.536 7 I N 4.350 124.917 120.570 -0.004 0.000 2.322 7 I HA 0.366 4.540 4.170 0.006 0.000 0.292 7 I C 0.251 176.357 176.117 -0.019 0.000 1.060 7 I CA -0.134 61.163 61.300 -0.005 0.000 1.309 7 I CB 0.606 38.614 38.000 0.012 0.000 1.415 7 I HN 0.533 nan 8.210 nan 0.000 0.492 8 R N 3.662 124.133 120.500 -0.048 0.000 2.599 8 R HA 0.824 5.168 4.340 0.006 0.000 0.295 8 R C 0.013 176.260 176.300 -0.088 0.000 0.963 8 R CA -0.646 55.417 56.100 -0.062 0.000 0.883 8 R CB 2.708 32.957 30.300 -0.084 0.000 1.171 8 R HN 0.925 nan 8.270 nan 0.000 0.450 9 G N 0.009 108.739 108.800 -0.116 0.000 2.428 9 G HA2 0.584 4.547 3.960 0.006 0.000 0.304 9 G HA3 0.584 4.547 3.960 0.006 0.000 0.304 9 G C -1.479 173.235 174.900 -0.309 0.000 1.303 9 G CA -0.223 44.742 45.100 -0.225 0.000 0.825 9 G HN 0.774 nan 8.290 nan 0.000 0.484 10 G N -1.779 106.669 108.800 -0.585 0.000 2.623 10 G HA2 0.710 4.673 3.960 0.006 0.000 0.290 10 G HA3 0.710 4.673 3.960 0.006 0.000 0.290 10 G C -2.134 172.222 174.900 -0.907 0.000 1.437 10 G CA -0.619 44.153 45.100 -0.548 0.000 0.798 10 G HN 0.737 nan 8.290 nan 0.000 0.488 11 F N 0.267 120.239 119.950 0.036 0.000 2.574 11 F HA 0.344 4.875 4.527 0.006 0.000 0.313 11 F C -0.644 175.185 175.800 0.048 0.000 1.130 11 F CA -1.068 56.956 58.000 0.041 0.000 0.936 11 F CB 2.467 41.492 39.000 0.042 0.000 1.219 11 F HN 0.181 nan 8.300 nan 0.000 0.445 12 D N 3.991 124.515 120.400 0.206 0.000 2.338 12 D HA 0.293 4.936 4.640 0.006 0.000 0.255 12 D C -0.664 175.734 176.300 0.164 0.000 1.237 12 D CA 0.199 54.286 54.000 0.146 0.000 0.883 12 D CB 1.377 42.238 40.800 0.102 0.000 1.087 12 D HN 0.186 nan 8.370 nan 0.000 0.485 13 L N 2.002 123.322 121.223 0.163 0.000 2.365 13 L HA 0.642 4.986 4.340 0.006 0.000 0.273 13 L C -0.415 176.568 176.870 0.188 0.000 1.000 13 L CA -0.694 54.258 54.840 0.187 0.000 0.819 13 L CB 1.915 44.103 42.059 0.216 0.000 1.284 13 L HN 0.424 nan 8.230 nan 0.000 0.418 14 A N 3.485 126.437 122.820 0.219 0.000 2.486 14 A HA 0.908 5.232 4.320 0.006 0.000 0.300 14 A C -1.659 176.113 177.584 0.313 0.000 1.048 14 A CA -0.413 51.719 52.037 0.159 0.000 0.696 14 A CB 1.349 20.395 19.000 0.077 0.000 1.278 14 A HN 0.575 nan 8.150 nan 0.000 0.405 15 F N -0.932 119.054 119.950 0.060 0.000 2.635 15 F HA 0.730 5.261 4.527 0.006 0.000 0.314 15 F C -0.859 174.974 175.800 0.056 0.000 1.119 15 F CA -0.979 57.051 58.000 0.050 0.000 1.000 15 F CB 1.105 40.126 39.000 0.035 0.000 1.278 15 F HN 0.427 nan 8.300 nan 0.000 0.446 16 Q N 3.066 122.957 119.800 0.150 0.000 2.259 16 Q HA 0.782 5.126 4.340 0.006 0.000 0.246 16 Q C -0.915 175.124 176.000 0.065 0.000 0.920 16 Q CA -0.538 55.304 55.803 0.065 0.000 0.895 16 Q CB 1.838 30.666 28.738 0.150 0.000 1.220 16 Q HN 0.744 nan 8.270 nan 0.000 0.439 17 L N -0.773 120.422 121.223 -0.046 0.000 2.410 17 L HA 0.964 5.307 4.340 0.006 0.000 0.270 17 L C -0.348 176.407 176.870 -0.191 0.000 0.983 17 L CA -1.566 53.246 54.840 -0.047 0.000 0.822 17 L CB 1.757 43.874 42.059 0.098 0.000 1.285 17 L HN 0.552 nan 8.230 nan 0.000 0.409 18 A N 3.365 125.911 122.820 -0.457 0.000 2.448 18 A HA 0.441 4.764 4.320 0.006 0.000 0.239 18 A C -1.463 176.031 177.584 -0.150 0.000 1.080 18 A CA -0.712 50.998 52.037 -0.545 0.000 0.779 18 A CB -0.370 17.838 19.000 -1.319 0.000 1.026 18 A HN 0.784 nan 8.150 nan 0.000 0.499 19 P HA -0.117 nan 4.420 nan 0.000 0.216 19 P C -1.743 175.649 177.300 0.154 0.000 1.167 19 P CA 1.579 64.727 63.100 0.081 0.000 0.914 19 P CB -1.161 30.584 31.700 0.075 0.000 0.793 20 P HA 0.057 nan 4.420 nan 0.000 0.268 20 P C 0.499 177.935 177.300 0.228 0.000 1.485 20 P CA 0.175 63.384 63.100 0.182 0.000 1.102 20 P CB 0.088 31.858 31.700 0.117 0.000 1.501 21 K N 2.770 123.260 120.400 0.151 0.000 2.009 21 K HA -0.161 4.163 4.320 0.006 0.000 0.210 21 K C 1.595 178.261 176.600 0.110 0.000 1.049 21 K CA 1.537 57.910 56.287 0.144 0.000 0.929 21 K CB -0.533 32.000 32.500 0.055 0.000 0.714 21 K HN 0.412 nan 8.250 nan 0.000 0.440 22 E N 0.887 121.115 120.200 0.047 0.000 2.113 22 E HA -0.262 4.092 4.350 0.006 0.000 0.210 22 E C 2.078 178.663 176.600 -0.025 0.000 1.040 22 E CA 1.522 57.929 56.400 0.011 0.000 0.847 22 E CB -0.525 29.170 29.700 -0.009 0.000 0.755 22 E HN 0.221 nan 8.360 nan 0.000 0.459 23 M N -0.603 118.945 119.600 -0.087 0.000 2.108 23 M HA -0.111 4.373 4.480 0.006 0.000 0.261 23 M C 1.926 178.054 176.300 -0.288 0.000 1.066 23 M CA 1.660 56.797 55.300 -0.271 0.000 1.107 23 M CB -0.174 32.127 32.600 -0.499 0.000 1.356 23 M HN 0.063 nan 8.290 nan 0.000 0.406 24 F N -1.357 118.603 119.950 0.018 0.000 2.437 24 F HA 0.047 4.578 4.527 0.006 0.000 0.288 24 F C 1.748 177.572 175.800 0.040 0.000 1.085 24 F CA 0.095 58.111 58.000 0.028 0.000 1.430 24 F CB -0.334 38.688 39.000 0.037 0.000 1.120 24 F HN 0.094 nan 8.300 nan 0.000 0.556 25 I N -0.689 120.025 120.570 0.240 0.000 2.614 25 I HA -0.139 4.035 4.170 0.006 0.000 0.258 25 I C 1.726 177.898 176.117 0.092 0.000 1.189 25 I CA 0.843 62.263 61.300 0.200 0.000 1.462 25 I CB -1.303 36.828 38.000 0.218 0.000 1.092 25 I HN -0.037 nan 8.210 nan 0.000 0.442 26 K N 1.255 121.688 120.400 0.055 0.000 1.991 26 K HA -0.160 4.164 4.320 0.006 0.000 0.212 26 K C 1.941 178.536 176.600 -0.009 0.000 1.049 26 K CA 1.861 58.154 56.287 0.009 0.000 0.932 26 K CB -0.469 32.026 32.500 -0.009 0.000 0.717 26 K HN 0.356 nan 8.250 nan 0.000 0.441 27 N N 0.888 119.597 118.700 0.014 0.000 2.120 27 N HA -0.127 4.616 4.740 0.006 0.000 0.188 27 N C 1.789 177.287 175.510 -0.019 0.000 1.024 27 N CA 1.335 54.390 53.050 0.008 0.000 0.852 27 N CB -0.526 37.984 38.487 0.039 0.000 1.003 27 N HN 0.205 nan 8.380 nan 0.000 0.424 28 A N 2.031 124.865 122.820 0.023 0.000 1.884 28 A HA -0.158 4.166 4.320 0.006 0.000 0.219 28 A C 2.144 179.501 177.584 -0.379 0.000 1.197 28 A CA 1.260 53.257 52.037 -0.067 0.000 0.637 28 A CB -0.925 18.155 19.000 0.133 0.000 0.827 28 A HN 0.311 nan 8.150 nan 0.000 0.450 29 L N -1.227 119.759 121.223 -0.396 0.000 2.093 29 L HA -0.101 4.243 4.340 0.006 0.000 0.208 29 L C 2.460 179.146 176.870 -0.308 0.000 1.085 29 L CA 1.782 56.306 54.840 -0.528 0.000 0.755 29 L CB -0.834 41.093 42.059 -0.221 0.000 0.904 29 L HN 0.357 nan 8.230 nan 0.000 0.435 30 R N 0.114 120.507 120.500 -0.179 0.000 2.096 30 R HA -0.208 4.136 4.340 0.006 0.000 0.235 30 R C 2.140 178.366 176.300 -0.125 0.000 1.127 30 R CA 1.667 57.696 56.100 -0.117 0.000 0.968 30 R CB -0.364 29.892 30.300 -0.072 0.000 0.861 30 R HN 0.603 nan 8.270 nan 0.000 0.440 31 Q N -0.140 119.574 119.800 -0.144 0.000 2.016 31 Q HA -0.086 4.257 4.340 0.006 0.000 0.200 31 Q C 1.985 177.899 176.000 -0.143 0.000 0.978 31 Q CA 1.636 57.369 55.803 -0.116 0.000 0.833 31 Q CB 0.134 28.817 28.738 -0.091 0.000 0.895 31 Q HN 0.120 nan 8.270 nan 0.000 0.427 32 V N 0.946 120.715 119.914 -0.242 0.000 2.427 32 V HA -0.225 3.898 4.120 0.006 0.000 0.248 32 V C 2.276 178.285 176.094 -0.142 0.000 1.051 32 V CA 0.993 63.170 62.300 -0.205 0.000 1.048 32 V CB -0.449 31.166 31.823 -0.347 0.000 0.666 32 V HN 0.353 nan 8.190 nan 0.000 0.456 33 L N 0.136 121.265 121.223 -0.156 0.000 2.093 33 L HA -0.094 4.249 4.340 0.006 0.000 0.208 33 L C 2.723 179.538 176.870 -0.092 0.000 1.085 33 L CA 2.132 56.910 54.840 -0.103 0.000 0.755 33 L CB -1.334 40.673 42.059 -0.086 0.000 0.904 33 L HN 0.425 nan 8.230 nan 0.000 0.435 34 S N -0.721 114.925 115.700 -0.089 0.000 2.370 34 S HA -0.250 4.223 4.470 0.006 0.000 0.226 34 S C 1.874 176.431 174.600 -0.071 0.000 1.033 34 S CA 1.676 59.834 58.200 -0.071 0.000 1.011 34 S CB -0.277 62.887 63.200 -0.060 0.000 0.852 34 S HN 0.587 nan 8.310 nan 0.000 0.457 35 D N 0.751 121.106 120.400 -0.075 0.000 2.092 35 D HA -0.116 4.528 4.640 0.006 0.000 0.193 35 D C 2.064 178.303 176.300 -0.101 0.000 0.994 35 D CA 1.423 55.380 54.000 -0.073 0.000 0.828 35 D CB -0.556 40.208 40.800 -0.060 0.000 0.963 35 D HN 0.422 nan 8.370 nan 0.000 0.450 36 L N 0.075 121.218 121.223 -0.132 0.000 2.013 36 L HA -0.224 4.120 4.340 0.006 0.000 0.212 36 L C 2.248 179.007 176.870 -0.186 0.000 1.073 36 L CA 1.985 56.695 54.840 -0.217 0.000 0.753 36 L CB -0.864 41.045 42.059 -0.249 0.000 0.890 36 L HN 0.234 nan 8.230 nan 0.000 0.432 37 T N -0.825 113.655 114.554 -0.124 0.000 2.570 37 T HA -0.255 4.098 4.350 0.006 0.000 0.266 37 T C 1.725 176.378 174.700 -0.078 0.000 1.071 37 T CA 2.251 64.299 62.100 -0.087 0.000 1.172 37 T CB -0.616 68.215 68.868 -0.062 0.000 0.864 37 T HN 0.421 nan 8.240 nan 0.000 0.421 38 T N 2.914 117.427 114.554 -0.069 0.000 2.564 38 T HA -0.220 4.134 4.350 0.006 0.000 0.264 38 T C 1.989 176.653 174.700 -0.059 0.000 1.100 38 T CA 2.053 64.119 62.100 -0.056 0.000 1.171 38 T CB -0.428 68.412 68.868 -0.048 0.000 0.863 38 T HN 0.583 nan 8.240 nan 0.000 0.430 39 K N 0.991 121.344 120.400 -0.078 0.000 2.360 39 K HA -0.015 4.308 4.320 0.006 0.000 0.201 39 K C 1.989 178.550 176.600 -0.065 0.000 1.046 39 K CA 0.949 57.195 56.287 -0.068 0.000 0.945 39 K CB -0.444 32.014 32.500 -0.070 0.000 0.750 39 K HN 0.267 nan 8.250 nan 0.000 0.464 40 L N 1.972 123.144 121.223 -0.086 0.000 2.240 40 L HA 0.012 4.355 4.340 0.006 0.000 0.211 40 L C 1.709 178.563 176.870 -0.027 0.000 1.106 40 L CA 1.406 56.213 54.840 -0.054 0.000 0.793 40 L CB -0.334 41.684 42.059 -0.068 0.000 0.927 40 L HN 0.174 nan 8.230 nan 0.000 0.446 41 S N -2.067 113.613 115.700 -0.033 0.000 2.556 41 S HA 0.114 4.587 4.470 0.006 0.000 0.216 41 S C 0.947 175.534 174.600 -0.022 0.000 0.970 41 S CA 0.110 58.294 58.200 -0.027 0.000 0.912 41 S CB -0.228 62.954 63.200 -0.030 0.000 0.790 41 S HN 0.477 nan 8.310 nan 0.000 0.504 42 S N 1.569 117.257 115.700 -0.020 0.000 2.645 42 S HA 0.320 4.794 4.470 0.006 0.000 0.266 42 S C -0.035 174.562 174.600 -0.004 0.000 1.258 42 S CA -0.511 57.682 58.200 -0.013 0.000 0.990 42 S CB 0.438 63.630 63.200 -0.013 0.000 0.967 42 S HN -0.016 nan 8.310 nan 0.000 0.556 43 D N 0.390 120.790 120.400 -0.000 0.000 2.324 43 D HA 0.327 4.971 4.640 0.006 0.000 0.235 43 D C 1.640 177.952 176.300 0.020 0.000 1.095 43 D CA 0.535 54.539 54.000 0.008 0.000 0.871 43 D CB -0.383 40.420 40.800 0.004 0.000 0.906 43 D HN 0.649 nan 8.370 nan 0.000 0.522 44 A N -0.030 122.802 122.820 0.019 0.000 2.067 44 A HA -0.048 4.276 4.320 0.006 0.000 0.219 44 A C 1.076 178.693 177.584 0.056 0.000 1.158 44 A CA 0.209 52.266 52.037 0.033 0.000 0.661 44 A CB -0.235 18.779 19.000 0.023 0.000 0.801 44 A HN 0.262 nan 8.150 nan 0.000 0.452 45 L N 0.668 121.919 121.223 0.048 0.000 2.369 45 L HA 0.445 4.789 4.340 0.006 0.000 0.279 45 L C -0.158 176.761 176.870 0.082 0.000 1.108 45 L CA 0.093 54.972 54.840 0.065 0.000 0.852 45 L CB 1.082 43.166 42.059 0.042 0.000 1.169 45 L HN 0.080 nan 8.230 nan 0.000 0.452 46 V N 7.217 127.202 119.914 0.118 0.000 2.555 46 V HA 0.655 4.779 4.120 0.006 0.000 0.302 46 V C -0.988 175.184 176.094 0.130 0.000 1.038 46 V CA -0.602 61.798 62.300 0.168 0.000 0.887 46 V CB 1.828 33.803 31.823 0.254 0.000 0.991 46 V HN 0.671 nan 8.190 nan 0.000 0.434 47 L N 6.775 128.058 121.223 0.100 0.000 2.404 47 L HA 0.653 4.997 4.340 0.006 0.000 0.272 47 L C -0.137 176.668 176.870 -0.108 0.000 0.980 47 L CA -0.533 54.305 54.840 -0.004 0.000 0.836 47 L CB 1.709 43.755 42.059 -0.021 0.000 1.238 47 L HN 0.662 nan 8.230 nan 0.000 0.408 48 R N 2.480 122.814 120.500 -0.278 0.000 2.265 48 R HA 0.508 4.852 4.340 0.006 0.000 0.319 48 R C -0.916 175.184 176.300 -0.333 0.000 1.006 48 R CA -0.638 55.095 56.100 -0.612 0.000 0.880 48 R CB 1.563 31.293 30.300 -0.951 0.000 1.077 48 R HN 0.456 nan 8.270 nan 0.000 0.454 49 V N 6.141 125.903 119.914 -0.254 0.000 2.364 49 V HA -0.007 4.116 4.120 0.006 0.000 0.252 49 V C 0.341 176.348 176.094 -0.145 0.000 1.075 49 V CA -0.338 61.904 62.300 -0.096 0.000 1.033 49 V CB -0.193 31.643 31.823 0.023 0.000 1.116 49 V HN 0.875 nan 8.190 nan 0.000 0.488 50 C N 6.651 125.865 119.300 -0.144 0.000 2.378 50 C HA -0.044 4.419 4.460 0.006 0.000 0.395 50 C C 1.277 176.157 174.990 -0.184 0.000 1.476 50 C CA -0.348 58.574 59.018 -0.159 0.000 1.541 50 C CB -1.453 26.203 27.740 -0.140 0.000 2.524 50 C HN 1.013 nan 8.230 nan 0.000 0.595 51 N N 2.514 121.102 118.700 -0.186 0.000 2.621 51 N HA -0.144 4.599 4.740 0.006 0.000 0.269 51 N C -0.471 174.791 175.510 -0.413 0.000 1.154 51 N CA 0.977 53.862 53.050 -0.275 0.000 0.696 51 N CB -0.752 37.527 38.487 -0.347 0.000 0.878 51 N HN 0.798 nan 8.380 nan 0.000 0.550 57 W N 1.604 122.961 121.300 0.096 0.000 2.864 57 W HA 0.751 5.415 4.660 0.006 0.000 0.343 57 W C -2.591 173.994 176.519 0.110 0.000 1.109 57 W CA -0.875 56.525 57.345 0.092 0.000 1.192 57 W CB 2.831 32.335 29.460 0.073 0.000 1.426 57 W HN -0.279 nan 8.180 nan 0.000 0.529 58 P HA 0.173 nan 4.420 nan 0.000 0.331 58 P C -1.536 175.988 177.300 0.374 0.000 1.304 58 P CA -0.696 62.567 63.100 0.271 0.000 1.325 58 P CB 2.222 34.019 31.700 0.161 0.000 2.216 59 N N 0.579 119.531 118.700 0.420 0.000 2.605 59 N HA 0.156 4.900 4.740 0.006 0.000 0.258 59 N C -0.836 174.881 175.510 0.346 0.000 1.156 59 N CA 0.141 53.430 53.050 0.399 0.000 1.008 59 N CB -0.062 38.620 38.487 0.325 0.000 1.354 59 N HN 0.156 nan 8.380 nan 0.000 0.509 60 S N 2.495 118.336 115.700 0.234 0.000 2.488 60 S HA 0.257 4.730 4.470 0.006 0.000 0.310 60 S C -0.683 173.965 174.600 0.079 0.000 1.093 60 S CA -0.719 57.508 58.200 0.044 0.000 1.129 60 S CB 0.962 64.126 63.200 -0.061 0.000 0.989 60 S HN 0.528 nan 8.310 nan 0.000 0.479 66 E N 0.937 121.138 120.200 0.001 0.000 2.869 66 E HA 0.320 4.674 4.350 0.006 0.000 0.207 66 E C -0.148 176.460 176.600 0.013 0.000 0.986 66 E CA -0.161 56.242 56.400 0.005 0.000 1.131 66 E CB 0.592 30.295 29.700 0.005 0.000 1.098 66 E HN 0.181 nan 8.360 nan 0.000 0.459 67 L N 1.558 122.790 121.223 0.016 0.000 2.959 67 L HA 0.283 4.627 4.340 0.006 0.000 0.236 67 L C -0.391 176.504 176.870 0.042 0.000 1.296 67 L CA 0.334 55.194 54.840 0.033 0.000 1.047 67 L CB 0.365 42.447 42.059 0.038 0.000 1.395 67 L HN -0.131 nan 8.230 nan 0.000 0.492 68 T N -1.204 113.372 114.554 0.035 0.000 2.840 68 T HA 0.397 4.750 4.350 0.006 0.000 0.287 68 T C -0.256 174.486 174.700 0.070 0.000 0.991 68 T CA -0.522 61.596 62.100 0.030 0.000 0.964 68 T CB 2.045 70.905 68.868 -0.014 0.000 0.954 68 T HN 0.061 nan 8.240 nan 0.000 0.438 69 D N 2.445 122.930 120.400 0.141 0.000 2.513 69 D HA 0.152 4.795 4.640 0.006 0.000 0.295 69 D C -0.256 176.193 176.300 0.249 0.000 1.202 69 D CA -0.412 53.689 54.000 0.169 0.000 0.849 69 D CB 1.020 41.916 40.800 0.159 0.000 1.116 69 D HN 0.410 nan 8.370 nan 0.000 0.502 70 S N 0.756 116.564 115.700 0.180 0.000 2.611 70 S HA 0.093 4.567 4.470 0.006 0.000 0.317 70 S C 1.322 176.025 174.600 0.172 0.000 1.208 70 S CA -0.265 58.054 58.200 0.199 0.000 1.217 70 S CB 0.294 63.559 63.200 0.108 0.000 1.085 70 S HN 0.445 nan 8.310 nan 0.000 0.529 71 S N 2.764 118.588 115.700 0.207 0.000 3.161 71 S HA 0.758 5.232 4.470 0.006 0.000 0.214 71 S C 0.228 174.918 174.600 0.151 0.000 1.105 71 S CA -0.434 57.842 58.200 0.126 0.000 1.369 71 S CB 0.108 63.345 63.200 0.061 0.000 0.959 71 S HN 0.834 nan 8.310 nan 0.000 0.572 72 A N -0.117 122.769 122.820 0.111 0.000 2.316 72 A HA 0.561 4.885 4.320 0.006 0.000 0.324 72 A C 1.200 178.869 177.584 0.142 0.000 1.375 72 A CA -0.454 51.652 52.037 0.116 0.000 0.882 72 A CB -0.462 18.579 19.000 0.069 0.000 1.152 72 A HN 1.079 nan 8.150 nan 0.000 0.512 73 C N 3.159 122.606 119.300 0.245 0.000 2.316 73 C HA -0.392 4.072 4.460 0.006 0.000 0.251 73 C C 2.843 177.964 174.990 0.219 0.000 1.055 73 C CA 2.772 61.999 59.018 0.349 0.000 1.862 73 C CB -1.050 26.884 27.740 0.323 0.000 2.070 73 C HN 1.021 nan 8.230 nan 0.000 0.418 74 K N 0.658 121.131 120.400 0.121 0.000 2.293 74 K HA -0.201 4.123 4.320 0.006 0.000 0.204 74 K C 1.628 178.226 176.600 -0.003 0.000 1.045 74 K CA 2.357 58.672 56.287 0.046 0.000 0.933 74 K CB -0.694 31.823 32.500 0.028 0.000 0.736 74 K HN 0.665 nan 8.250 nan 0.000 0.463 75 N N 0.929 119.613 118.700 -0.027 0.000 2.289 75 N HA -0.107 4.637 4.740 0.006 0.000 0.184 75 N C 1.691 177.104 175.510 -0.162 0.000 1.016 75 N CA 1.500 54.495 53.050 -0.092 0.000 0.872 75 N CB -0.133 38.290 38.487 -0.107 0.000 0.973 75 N HN 0.186 nan 8.380 nan 0.000 0.433 76 V N 0.909 120.679 119.914 -0.240 0.000 2.231 76 V HA -0.237 3.886 4.120 0.006 0.000 0.248 76 V C 2.500 178.535 176.094 -0.099 0.000 1.054 76 V CA 1.486 63.632 62.300 -0.257 0.000 1.015 76 V CB -1.108 30.595 31.823 -0.199 0.000 0.638 76 V HN 0.039 nan 8.190 nan 0.000 0.444 77 V N 0.273 120.147 119.914 -0.067 0.000 2.613 77 V HA -0.337 3.787 4.120 0.006 0.000 0.259 77 V C 2.521 178.610 176.094 -0.008 0.000 1.099 77 V CA 2.082 64.354 62.300 -0.046 0.000 1.115 77 V CB -1.184 30.607 31.823 -0.053 0.000 0.686 77 V HN 0.537 nan 8.190 nan 0.000 0.481 78 R N -1.270 119.226 120.500 -0.006 0.000 2.417 78 R HA -0.113 4.230 4.340 0.006 0.000 0.220 78 R C 0.180 176.569 176.300 0.148 0.000 1.128 78 R CA 0.648 56.768 56.100 0.033 0.000 1.048 78 R CB -0.175 30.121 30.300 -0.008 0.000 0.835 78 R HN 0.436 nan 8.270 nan 0.000 0.483 79 F N 1.054 120.964 119.950 -0.067 0.000 2.553 79 F HA 0.285 4.816 4.527 0.006 0.000 0.335 79 F C 0.000 175.773 175.800 -0.045 0.000 1.148 79 F CA -2.837 55.132 58.000 -0.050 0.000 0.963 79 F CB 0.581 39.555 39.000 -0.043 0.000 1.217 79 F HN -0.209 nan 8.300 nan 0.000 0.441 104 Q N 0.859 120.678 119.800 0.032 0.000 2.293 104 Q HA 0.258 4.601 4.340 0.006 0.000 0.251 104 Q C -0.816 175.183 176.000 -0.001 0.000 0.930 104 Q CA -0.289 55.526 55.803 0.019 0.000 0.893 104 Q CB 1.065 29.826 28.738 0.039 0.000 1.215 104 Q HN 0.584 nan 8.270 nan 0.000 0.425 105 Q N 3.482 123.264 119.800 -0.031 0.000 2.331 105 Q HA 0.407 4.751 4.340 0.006 0.000 0.257 105 Q C -0.295 175.647 176.000 -0.096 0.000 0.957 105 Q CA -0.344 55.421 55.803 -0.063 0.000 0.923 105 Q CB 1.088 29.779 28.738 -0.079 0.000 1.212 105 Q HN 0.500 nan 8.270 nan 0.000 0.443 106 I N 2.320 122.842 120.570 -0.080 0.000 2.412 106 I HA 0.372 4.545 4.170 0.006 0.000 0.296 106 I C 0.018 176.050 176.117 -0.142 0.000 0.987 106 I CA -0.855 60.392 61.300 -0.090 0.000 1.180 106 I CB 1.677 39.664 38.000 -0.021 0.000 1.340 106 I HN 0.153 nan 8.210 nan 0.000 0.455 107 V N 6.191 125.992 119.914 -0.188 0.000 2.340 107 V HA 0.243 4.366 4.120 0.006 0.000 0.277 107 V C -0.112 175.958 176.094 -0.040 0.000 1.017 107 V CA -0.763 61.452 62.300 -0.141 0.000 0.820 107 V CB 1.165 32.848 31.823 -0.233 0.000 1.028 107 V HN 0.712 nan 8.190 nan 0.000 0.436 108 N N 4.696 123.356 118.700 -0.068 0.000 2.497 108 N HA 0.536 5.280 4.740 0.006 0.000 0.271 108 N C -0.739 174.754 175.510 -0.029 0.000 1.142 108 N CA -0.009 53.000 53.050 -0.068 0.000 0.965 108 N CB 1.159 39.573 38.487 -0.122 0.000 1.077 108 N HN 0.538 nan 8.380 nan 0.000 0.462 109 I N 1.259 121.823 120.570 -0.010 0.000 2.433 109 I HA 0.206 4.380 4.170 0.006 0.000 0.292 109 I C -0.620 175.459 176.117 -0.063 0.000 1.001 109 I CA -0.789 60.498 61.300 -0.020 0.000 1.119 109 I CB 1.494 39.515 38.000 0.035 0.000 1.289 109 I HN 0.359 nan 8.210 nan 0.000 0.438 110 D N 6.537 126.876 120.400 -0.102 0.000 2.225 110 D HA 0.325 4.968 4.640 0.006 0.000 0.248 110 D C -0.468 175.787 176.300 -0.074 0.000 1.096 110 D CA -0.173 53.766 54.000 -0.103 0.000 0.863 110 D CB 2.111 42.830 40.800 -0.136 0.000 1.156 110 D HN 0.327 nan 8.370 nan 0.000 0.450 111 L N 2.818 124.010 121.223 -0.052 0.000 2.292 111 L HA 0.435 4.778 4.340 0.006 0.000 0.284 111 L C -0.721 176.156 176.870 0.011 0.000 1.065 111 L CA -0.228 54.611 54.840 -0.002 0.000 0.806 111 L CB 0.374 42.446 42.059 0.022 0.000 1.175 111 L HN 0.275 nan 8.230 nan 0.000 0.431 112 M N 4.655 124.303 119.600 0.081 0.000 2.593 112 M HA 0.426 4.910 4.480 0.006 0.000 0.290 112 M C -1.388 175.020 176.300 0.180 0.000 1.244 112 M CA -0.630 54.742 55.300 0.120 0.000 0.857 112 M CB 2.341 35.016 32.600 0.124 0.000 1.738 112 M HN 0.343 nan 8.290 nan 0.000 0.461 113 L N 1.734 123.077 121.223 0.201 0.000 2.307 113 L HA 0.365 4.709 4.340 0.006 0.000 0.282 113 L C 0.016 176.960 176.870 0.122 0.000 1.051 113 L CA -0.436 54.505 54.840 0.167 0.000 0.804 113 L CB 1.447 43.618 42.059 0.186 0.000 1.197 113 L HN 0.726 nan 8.230 nan 0.000 0.431 114 E N 2.942 123.199 120.200 0.094 0.000 2.820 114 E HA -0.139 4.215 4.350 0.006 0.000 0.251 114 E C -0.336 176.301 176.600 0.061 0.000 0.944 114 E CA 0.351 56.795 56.400 0.073 0.000 0.955 114 E CB 0.088 29.818 29.700 0.049 0.000 0.904 114 E HN 0.265 nan 8.360 nan 0.000 0.513 115 I N 4.975 125.578 120.570 0.055 0.000 2.472 115 I HA 0.074 4.248 4.170 0.006 0.000 0.305 115 I C 0.347 176.476 176.117 0.020 0.000 1.196 115 I CA 0.580 61.904 61.300 0.040 0.000 1.613 115 I CB -0.797 37.224 38.000 0.035 0.000 1.501 115 I HN 0.493 nan 8.210 nan 0.000 0.754 135 Y N 1.732 122.034 120.300 0.002 0.000 2.526 135 Y HA 0.397 4.950 4.550 0.006 0.000 0.328 135 Y C -0.280 175.547 175.900 -0.123 0.000 0.995 135 Y CA -0.728 57.322 58.100 -0.083 0.000 1.304 135 Y CB 0.769 39.171 38.460 -0.096 0.000 1.096 135 Y HN 0.270 nan 8.280 nan 0.000 0.499 136 I N 3.373 123.809 120.570 -0.223 0.000 2.412 136 I HA 0.459 4.633 4.170 0.006 0.000 0.296 136 I C -0.987 174.948 176.117 -0.304 0.000 0.987 136 I CA -0.994 60.121 61.300 -0.309 0.000 1.180 136 I CB 0.981 38.726 38.000 -0.425 0.000 1.340 136 I HN 0.534 nan 8.210 nan 0.000 0.455 137 N N 7.567 126.191 118.700 -0.127 0.000 2.362 137 N HA 0.685 5.429 4.740 0.006 0.000 0.298 137 N C -1.235 174.278 175.510 0.006 0.000 1.048 137 N CA -0.462 52.564 53.050 -0.040 0.000 0.858 137 N CB 1.770 40.257 38.487 -0.000 0.000 1.218 137 N HN 0.628 nan 8.380 nan 0.000 0.488 138 M N 0.965 120.600 119.600 0.058 0.000 2.255 138 M HA 0.339 4.822 4.480 0.006 0.000 0.275 138 M C -1.547 174.817 176.300 0.108 0.000 1.050 138 M CA -0.380 54.976 55.300 0.092 0.000 0.978 138 M CB 1.133 33.818 32.600 0.142 0.000 1.761 138 M HN 0.291 nan 8.290 nan 0.000 0.479 139 S N 4.912 120.664 115.700 0.087 0.000 2.434 139 S HA 0.433 4.906 4.470 0.006 0.000 0.318 139 S C -0.727 173.925 174.600 0.087 0.000 1.062 139 S CA -0.624 57.626 58.200 0.084 0.000 1.116 139 S CB 0.607 63.838 63.200 0.051 0.000 0.977 139 S HN 0.641 nan 8.310 nan 0.000 0.480 140 L N 6.373 127.669 121.223 0.122 0.000 2.319 140 L HA 0.481 4.825 4.340 0.006 0.000 0.280 140 L C -2.409 174.511 176.870 0.084 0.000 1.099 140 L CA -1.607 53.309 54.840 0.127 0.000 0.828 140 L CB 0.236 42.408 42.059 0.187 0.000 1.150 140 L HN 0.283 nan 8.230 nan 0.000 0.442 141 P HA 0.387 nan 4.420 nan 0.000 0.287 141 P C -1.184 176.144 177.300 0.046 0.000 1.270 141 P CA -0.479 62.633 63.100 0.020 0.000 0.844 141 P CB 1.370 33.078 31.700 0.014 0.000 1.068 142 I N 2.296 122.875 120.570 0.015 0.000 2.382 142 I HA 0.320 4.493 4.170 0.006 0.000 0.285 142 I C -0.522 175.614 176.117 0.032 0.000 1.007 142 I CA -0.191 61.141 61.300 0.052 0.000 1.142 142 I CB 0.841 38.886 38.000 0.075 0.000 1.289 142 I HN 0.187 nan 8.210 nan 0.000 0.453 143 D N 6.073 126.514 120.400 0.068 0.000 2.542 143 D HA 0.772 5.416 4.640 0.006 0.000 0.252 143 D C -1.325 175.107 176.300 0.220 0.000 1.222 143 D CA -0.277 53.790 54.000 0.111 0.000 0.895 143 D CB 1.737 42.601 40.800 0.106 0.000 1.207 143 D HN 0.553 nan 8.370 nan 0.000 0.558 144 A N 2.619 125.532 122.820 0.154 0.000 2.486 144 A HA 0.739 5.062 4.320 0.006 0.000 0.300 144 A C -1.472 176.119 177.584 0.012 0.000 1.048 144 A CA -0.625 51.488 52.037 0.126 0.000 0.696 144 A CB 1.865 20.920 19.000 0.091 0.000 1.278 144 A HN 0.343 nan 8.150 nan 0.000 0.405 145 V N 1.336 121.223 119.914 -0.045 0.000 2.789 145 V HA 0.806 4.930 4.120 0.006 0.000 0.311 145 V C -1.117 174.977 176.094 -0.000 0.000 1.073 145 V CA -0.367 61.874 62.300 -0.097 0.000 0.921 145 V CB 1.995 33.596 31.823 -0.370 0.000 1.009 145 V HN 1.477 nan 8.190 nan 0.000 0.426 146 V N 4.375 124.329 119.914 0.066 0.000 2.737 146 V HA 0.572 4.696 4.120 0.006 0.000 0.298 146 V C -0.620 175.576 176.094 0.170 0.000 1.163 146 V CA 0.002 62.362 62.300 0.102 0.000 0.925 146 V CB 2.406 34.283 31.823 0.089 0.000 1.037 146 V HN 0.859 nan 8.190 nan 0.000 0.433 147 S N 4.883 120.642 115.700 0.098 0.000 2.480 147 S HA 0.814 5.288 4.470 0.006 0.000 0.286 147 S C -0.500 174.172 174.600 0.120 0.000 1.180 147 S CA -0.366 57.881 58.200 0.078 0.000 1.075 147 S CB 1.423 64.629 63.200 0.010 0.000 0.996 147 S HN 0.757 nan 8.310 nan 0.000 0.487 148 V N 2.726 122.731 119.914 0.152 0.000 2.769 148 V HA 0.669 4.793 4.120 0.006 0.000 0.312 148 V C 0.150 176.315 176.094 0.118 0.000 1.061 148 V CA -1.176 61.236 62.300 0.186 0.000 0.931 148 V CB 1.853 33.903 31.823 0.378 0.000 1.010 148 V HN 0.953 nan 8.190 nan 0.000 0.433 149 A N 5.294 128.174 122.820 0.101 0.000 2.444 149 A HA 0.427 4.750 4.320 0.006 0.000 0.273 149 A C -1.289 176.350 177.584 0.092 0.000 1.136 149 A CA -1.007 51.075 52.037 0.074 0.000 0.799 149 A CB -0.068 18.968 19.000 0.060 0.000 1.081 149 A HN 0.698 nan 8.150 nan 0.000 0.509 150 P HA -0.131 nan 4.420 nan 0.000 0.234 150 P C 0.319 177.669 177.300 0.084 0.000 1.162 150 P CA 1.239 64.384 63.100 0.074 0.000 0.759 150 P CB 0.246 31.969 31.700 0.039 0.000 0.813 151 E N -0.952 119.294 120.200 0.078 0.000 2.307 151 E HA 0.027 4.381 4.350 0.006 0.000 0.195 151 E C 0.690 177.344 176.600 0.090 0.000 0.975 151 E CA -0.109 56.335 56.400 0.074 0.000 0.878 151 E CB -0.538 29.194 29.700 0.053 0.000 0.845 151 E HN 0.134 nan 8.360 nan 0.000 0.488 152 E N 1.832 122.090 120.200 0.096 0.000 2.565 152 E HA -0.056 4.298 4.350 0.006 0.000 0.268 152 E C -0.391 176.281 176.600 0.120 0.000 1.000 152 E CA 0.069 56.525 56.400 0.094 0.000 0.964 152 E CB 0.388 30.144 29.700 0.094 0.000 0.955 152 E HN 0.142 nan 8.360 nan 0.000 0.459 153 S N 4.777 120.534 115.700 0.094 0.000 2.549 153 S HA -0.054 4.420 4.470 0.006 0.000 0.283 153 S C 1.109 175.809 174.600 0.167 0.000 1.320 153 S CA -0.542 57.732 58.200 0.123 0.000 1.058 153 S CB 0.411 63.658 63.200 0.079 0.000 0.882 153 S HN 0.797 nan 8.310 nan 0.000 0.498 154 W N 3.421 124.743 121.300 0.037 0.000 2.316 154 W HA -0.181 4.483 4.660 0.006 0.000 0.279 154 W C 1.400 177.922 176.519 0.006 0.000 1.208 154 W CA 1.270 58.636 57.345 0.034 0.000 1.182 154 W CB -0.476 29.011 29.460 0.044 0.000 1.134 154 W HN 0.943 nan 8.180 nan 0.000 0.560 155 G N 0.136 108.893 108.800 -0.072 0.000 2.603 155 G HA2 -0.169 3.794 3.960 0.006 0.000 0.214 155 G HA3 -0.169 3.794 3.960 0.006 0.000 0.214 155 G C 1.375 176.162 174.900 -0.188 0.000 1.140 155 G CA 0.163 45.160 45.100 -0.173 0.000 0.800 155 G HN 0.166 nan 8.290 nan 0.000 0.533 156 K N 0.047 120.365 120.400 -0.137 0.000 2.444 156 K HA 0.252 4.576 4.320 0.006 0.000 0.193 156 K C 1.967 178.450 176.600 -0.195 0.000 1.024 156 K CA -0.196 56.017 56.287 -0.125 0.000 1.077 156 K CB 0.502 32.968 32.500 -0.056 0.000 0.833 156 K HN 0.170 nan 8.250 nan 0.000 0.517 157 V N 0.769 120.484 119.914 -0.332 0.000 2.446 157 V HA -0.149 3.975 4.120 0.006 0.000 0.244 157 V C 1.953 177.756 176.094 -0.485 0.000 1.039 157 V CA 1.274 63.298 62.300 -0.461 0.000 1.045 157 V CB -0.251 31.164 31.823 -0.679 0.000 0.681 157 V HN 0.273 nan 8.190 nan 0.000 0.459 158 R N 0.837 121.048 120.500 -0.482 0.000 2.096 158 R HA -0.268 4.075 4.340 0.006 0.000 0.240 158 R C 2.334 178.493 176.300 -0.235 0.000 1.139 158 R CA 2.028 57.916 56.100 -0.353 0.000 0.952 158 R CB -0.475 29.648 30.300 -0.295 0.000 0.854 158 R HN 0.384 nan 8.270 nan 0.000 0.436 159 K N 1.396 121.679 120.400 -0.195 0.000 2.057 159 K HA -0.048 4.276 4.320 0.006 0.000 0.206 159 K C 2.012 178.537 176.600 -0.125 0.000 1.050 159 K CA 1.099 57.308 56.287 -0.131 0.000 0.935 159 K CB -0.225 32.212 32.500 -0.104 0.000 0.715 159 K HN 0.087 nan 8.250 nan 0.000 0.439 160 L N 0.222 121.354 121.223 -0.151 0.000 1.989 160 L HA -0.195 4.149 4.340 0.006 0.000 0.211 160 L C 2.230 179.019 176.870 -0.136 0.000 1.071 160 L CA 0.903 55.667 54.840 -0.125 0.000 0.749 160 L CB -0.616 41.363 42.059 -0.133 0.000 0.890 160 L HN 0.212 nan 8.230 nan 0.000 0.431 161 L N -0.585 120.506 121.223 -0.220 0.000 2.081 161 L HA -0.205 4.139 4.340 0.006 0.000 0.212 161 L C 2.392 179.200 176.870 -0.105 0.000 1.080 161 L CA 1.515 56.240 54.840 -0.192 0.000 0.754 161 L CB -0.821 41.071 42.059 -0.279 0.000 0.893 161 L HN 0.095 nan 8.230 nan 0.000 0.433 162 V N -1.497 118.359 119.914 -0.097 0.000 2.878 162 V HA -0.124 3.999 4.120 0.006 0.000 0.250 162 V C 1.906 177.979 176.094 -0.035 0.000 1.075 162 V CA 1.046 63.314 62.300 -0.054 0.000 1.096 162 V CB -0.077 31.716 31.823 -0.051 0.000 0.724 162 V HN 0.351 nan 8.190 nan 0.000 0.467 163 D N 1.009 121.383 120.400 -0.043 0.000 2.123 163 D HA -0.132 4.512 4.640 0.006 0.000 0.196 163 D C 2.217 178.513 176.300 -0.006 0.000 0.992 163 D CA 1.769 55.754 54.000 -0.024 0.000 0.833 163 D CB -0.264 40.520 40.800 -0.027 0.000 0.954 163 D HN 0.553 nan 8.370 nan 0.000 0.455 164 A N 0.397 123.213 122.820 -0.007 0.000 1.855 164 A HA -0.130 4.194 4.320 0.006 0.000 0.215 164 A C 2.346 179.949 177.584 0.031 0.000 1.191 164 A CA 0.959 53.006 52.037 0.017 0.000 0.613 164 A CB -0.832 18.175 19.000 0.013 0.000 0.829 164 A HN 0.213 nan 8.150 nan 0.000 0.442 165 I N -0.877 119.708 120.570 0.024 0.000 2.248 165 I HA -0.278 3.896 4.170 0.006 0.000 0.248 165 I C 2.245 178.387 176.117 0.041 0.000 1.107 165 I CA 1.075 62.401 61.300 0.044 0.000 1.373 165 I CB -0.204 37.820 38.000 0.041 0.000 1.055 165 I HN 0.250 nan 8.210 nan 0.000 0.418 166 L N 0.017 121.252 121.223 0.021 0.000 2.162 166 L HA -0.044 4.300 4.340 0.006 0.000 0.205 166 L C 2.496 179.377 176.870 0.019 0.000 1.086 166 L CA 1.502 56.350 54.840 0.013 0.000 0.778 166 L CB -0.590 41.467 42.059 -0.002 0.000 0.928 166 L HN 0.065 nan 8.230 nan 0.000 0.446 167 R N -0.951 119.564 120.500 0.025 0.000 2.115 167 R HA -0.193 4.150 4.340 0.006 0.000 0.230 167 R C 2.111 178.437 176.300 0.044 0.000 1.111 167 R CA 1.191 57.310 56.100 0.031 0.000 0.976 167 R CB -0.324 29.999 30.300 0.038 0.000 0.870 167 R HN 0.444 nan 8.270 nan 0.000 0.445 168 Q N 1.193 121.026 119.800 0.056 0.000 2.084 168 Q HA -0.111 4.232 4.340 0.006 0.000 0.202 168 Q C 2.082 178.118 176.000 0.060 0.000 0.978 168 Q CA 1.173 57.018 55.803 0.070 0.000 0.844 168 Q CB -0.028 28.762 28.738 0.086 0.000 0.898 168 Q HN 0.343 nan 8.270 nan 0.000 0.426 169 L N -0.203 121.049 121.223 0.049 0.000 2.079 169 L HA -0.193 4.151 4.340 0.006 0.000 0.210 169 L C 2.319 179.203 176.870 0.023 0.000 1.081 169 L CA 0.832 55.694 54.840 0.036 0.000 0.752 169 L CB -0.255 41.815 42.059 0.018 0.000 0.896 169 L HN 0.214 nan 8.230 nan 0.000 0.433 170 V N -0.296 119.630 119.914 0.019 0.000 2.343 170 V HA -0.290 3.833 4.120 0.006 0.000 0.247 170 V C 1.973 178.077 176.094 0.017 0.000 1.051 170 V CA 1.868 64.175 62.300 0.011 0.000 1.036 170 V CB -0.431 31.397 31.823 0.008 0.000 0.654 170 V HN 0.468 nan 8.190 nan 0.000 0.451 171 D N -0.287 120.133 120.400 0.033 0.000 2.224 171 D HA -0.092 4.552 4.640 0.006 0.000 0.205 171 D C 2.118 178.444 176.300 0.043 0.000 0.965 171 D CA 0.986 55.010 54.000 0.040 0.000 0.852 171 D CB -0.044 40.794 40.800 0.063 0.000 0.947 171 D HN 0.352 nan 8.370 nan 0.000 0.494 172 V N 0.994 120.938 119.914 0.049 0.000 2.307 172 V HA -0.219 3.905 4.120 0.006 0.000 0.245 172 V C 2.468 178.588 176.094 0.043 0.000 1.045 172 V CA 1.598 63.933 62.300 0.059 0.000 1.024 172 V CB -0.487 31.375 31.823 0.067 0.000 0.651 172 V HN 0.134 nan 8.190 nan 0.000 0.449 173 E N 0.108 120.320 120.200 0.021 0.000 2.085 173 E HA -0.264 4.090 4.350 0.006 0.000 0.194 173 E C 2.288 178.884 176.600 -0.006 0.000 0.994 173 E CA 1.506 57.907 56.400 0.003 0.000 0.801 173 E CB -0.047 29.644 29.700 -0.015 0.000 0.743 173 E HN 0.545 nan 8.360 nan 0.000 0.453 174 K N -0.149 120.242 120.400 -0.015 0.000 2.057 174 K HA -0.144 4.180 4.320 0.006 0.000 0.206 174 K C 2.392 178.952 176.600 -0.068 0.000 1.050 174 K CA 1.116 57.372 56.287 -0.052 0.000 0.935 174 K CB -0.333 32.130 32.500 -0.061 0.000 0.715 174 K HN 0.261 nan 8.250 nan 0.000 0.439 175 C N 1.318 120.612 119.300 -0.010 0.000 2.491 175 C HA -0.119 4.345 4.460 0.006 0.000 0.283 175 C C 2.403 177.464 174.990 0.118 0.000 1.238 175 C CA 0.676 59.732 59.018 0.063 0.000 1.735 175 C CB -0.939 26.884 27.740 0.137 0.000 2.080 175 C HN 0.436 nan 8.230 nan 0.000 0.463 176 I N 0.989 121.628 120.570 0.114 0.000 2.141 176 I HA -0.334 3.839 4.170 0.006 0.000 0.243 176 I C 2.466 178.620 176.117 0.062 0.000 1.035 176 I CA 2.325 63.691 61.300 0.111 0.000 1.302 176 I CB -0.571 37.483 38.000 0.091 0.000 1.006 176 I HN 0.449 nan 8.210 nan 0.000 0.413 177 L N -0.286 120.937 121.223 -0.000 0.000 2.141 177 L HA -0.162 4.182 4.340 0.006 0.000 0.209 177 L C 2.650 179.454 176.870 -0.111 0.000 1.094 177 L CA 1.035 55.851 54.840 -0.039 0.000 0.763 177 L CB -0.500 41.529 42.059 -0.050 0.000 0.908 177 L HN 0.179 nan 8.230 nan 0.000 0.437 178 R N -0.728 119.641 120.500 -0.219 0.000 2.148 178 R HA -0.164 4.180 4.340 0.006 0.000 0.227 178 R C 1.483 177.404 176.300 -0.630 0.000 1.103 178 R CA 1.632 57.440 56.100 -0.486 0.000 0.983 178 R CB -0.014 29.839 30.300 -0.745 0.000 0.874 178 R HN 0.375 nan 8.270 nan 0.000 0.451 179 Y N -2.043 118.248 120.300 -0.016 0.000 2.467 179 Y HA 0.228 4.782 4.550 0.006 0.000 0.259 179 Y C 0.215 176.125 175.900 0.016 0.000 1.084 179 Y CA -0.798 57.306 58.100 0.007 0.000 1.275 179 Y CB 0.187 38.663 38.460 0.026 0.000 1.208 179 Y HN -0.051 nan 8.280 nan 0.000 0.511 180 M N 2.637 122.314 119.600 0.128 0.000 2.356 180 M HA -0.160 4.324 4.480 0.006 0.000 0.467 180 M C -0.574 175.765 176.300 0.065 0.000 1.544 180 M CA 0.581 55.931 55.300 0.084 0.000 0.831 180 M CB 0.044 32.674 32.600 0.051 0.000 2.044 180 M HN -0.081 nan 8.290 nan 0.000 0.522 181 K N 4.454 124.894 120.400 0.067 0.000 2.265 181 K HA 0.654 4.977 4.320 0.006 0.000 0.267 181 K C 0.830 177.449 176.600 0.033 0.000 0.994 181 K CA 0.684 57.000 56.287 0.048 0.000 0.860 181 K CB 0.840 33.372 32.500 0.053 0.000 1.099 181 K HN 0.812 nan 8.250 nan 0.000 0.448 182 G N 2.359 111.173 108.800 0.022 0.000 3.284 182 G HA2 -0.424 3.540 3.960 0.006 0.000 0.351 182 G HA3 -0.424 3.540 3.960 0.006 0.000 0.351 182 G C 0.843 175.755 174.900 0.020 0.000 1.232 182 G CA 1.398 46.507 45.100 0.014 0.000 1.001 182 G HN 0.720 nan 8.290 nan 0.000 0.639 183 T N -0.416 114.148 114.554 0.016 0.000 3.192 183 T HA 0.501 4.855 4.350 0.006 0.000 0.295 183 T C 0.310 175.022 174.700 0.020 0.000 0.947 183 T CA 1.172 63.285 62.100 0.022 0.000 0.916 183 T CB -0.170 68.700 68.868 0.003 0.000 1.169 183 T HN 0.761 nan 8.240 nan 0.000 0.540 184 S N 2.808 118.521 115.700 0.022 0.000 2.438 184 S HA 0.585 5.058 4.470 0.006 0.000 0.293 184 S C 0.184 174.819 174.600 0.058 0.000 1.141 184 S CA -0.849 57.367 58.200 0.026 0.000 1.080 184 S CB 0.534 63.744 63.200 0.016 0.000 0.978 184 S HN 0.599 nan 8.310 nan 0.000 0.479 185 I N 1.509 122.123 120.570 0.074 0.000 2.886 185 I HA 0.660 4.834 4.170 0.006 0.000 0.299 185 I C -0.072 176.102 176.117 0.095 0.000 1.044 185 I CA -0.776 60.590 61.300 0.109 0.000 1.310 185 I CB 0.378 38.478 38.000 0.166 0.000 1.441 185 I HN 0.363 nan 8.210 nan 0.000 0.578 186 V N 1.552 121.532 119.914 0.110 0.000 2.960 186 V HA 0.644 4.768 4.120 0.006 0.000 0.315 186 V C -0.094 176.063 176.094 0.104 0.000 1.087 186 V CA -1.051 61.306 62.300 0.096 0.000 0.982 186 V CB 1.326 33.208 31.823 0.098 0.000 1.039 186 V HN 0.662 nan 8.190 nan 0.000 0.437 187 V N 3.146 123.113 119.914 0.089 0.000 2.432 187 V HA 0.351 4.475 4.120 0.006 0.000 0.271 187 V C -2.244 173.908 176.094 0.097 0.000 1.046 187 V CA -1.309 61.047 62.300 0.093 0.000 0.945 187 V CB 0.751 32.622 31.823 0.079 0.000 0.992 187 V HN 0.814 nan 8.190 nan 0.000 0.471 188 P HA 0.420 nan 4.420 nan 0.000 0.282 188 P C -0.680 176.680 177.300 0.100 0.000 1.249 188 P CA -0.462 62.708 63.100 0.116 0.000 0.806 188 P CB 0.859 32.629 31.700 0.117 0.000 0.984 189 E N 3.277 123.543 120.200 0.110 0.000 2.216 189 E HA 0.301 4.655 4.350 0.006 0.000 0.260 189 E C -2.411 174.224 176.600 0.059 0.000 0.880 189 E CA -2.238 54.213 56.400 0.084 0.000 0.765 189 E CB 1.512 31.266 29.700 0.090 0.000 1.174 189 E HN 0.358 nan 8.360 nan 0.000 0.417 190 P HA 0.223 nan 4.420 nan 0.000 0.280 190 P C -0.822 176.318 177.300 -0.266 0.000 1.244 190 P CA -0.188 62.851 63.100 -0.101 0.000 0.784 190 P CB 1.103 32.762 31.700 -0.068 0.000 0.913 191 L N 3.344 124.359 121.223 -0.347 0.000 2.350 191 L HA 0.496 4.840 4.340 0.006 0.000 0.260 191 L C 0.049 176.447 176.870 -0.787 0.000 1.015 191 L CA -0.864 53.627 54.840 -0.581 0.000 0.821 191 L CB 2.085 43.935 42.059 -0.349 0.000 1.370 191 L HN 0.411 nan 8.230 nan 0.000 0.416 192 H N 1.923 120.676 119.070 -0.528 0.000 2.646 192 H HA 0.447 5.006 4.556 0.006 0.000 0.328 192 H C -1.317 173.673 175.328 -0.564 0.000 0.998 192 H CA -0.540 55.294 56.048 -0.355 0.000 1.225 192 H CB 1.168 30.906 29.762 -0.041 0.000 1.457 192 H HN 0.210 nan 8.280 nan 0.000 0.505 193 F N 1.128 121.154 119.950 0.126 0.000 2.469 193 F HA 0.262 4.793 4.527 0.006 0.000 0.332 193 F C 0.739 176.491 175.800 -0.080 0.000 1.103 193 F CA -0.846 57.176 58.000 0.037 0.000 0.979 193 F CB 1.879 40.914 39.000 0.058 0.000 1.137 193 F HN 0.361 nan 8.300 nan 0.000 0.463 194 Q N 4.373 124.218 119.800 0.075 0.000 2.340 194 Q HA 0.585 4.929 4.340 0.006 0.000 0.259 194 Q C -1.623 174.340 176.000 -0.061 0.000 0.964 194 Q CA -0.432 55.335 55.803 -0.059 0.000 0.900 194 Q CB 0.885 29.566 28.738 -0.095 0.000 1.228 194 Q HN 0.738 nan 8.270 nan 0.000 0.449 195 L N 4.681 125.822 121.223 -0.137 0.000 2.344 195 L HA 0.612 4.956 4.340 0.006 0.000 0.272 195 L C -2.053 174.738 176.870 -0.131 0.000 1.035 195 L CA -2.607 52.106 54.840 -0.212 0.000 0.807 195 L CB 0.972 42.830 42.059 -0.336 0.000 1.237 195 L HN 0.593 nan 8.230 nan 0.000 0.442 196 P HA 0.047 nan 4.420 nan 0.000 0.266 196 P C 0.459 177.733 177.300 -0.043 0.000 1.195 196 P CA 0.191 63.261 63.100 -0.050 0.000 0.768 196 P CB 0.478 32.155 31.700 -0.038 0.000 0.838 197 G N 1.581 110.375 108.800 -0.010 0.000 2.424 197 G HA2 -0.292 3.672 3.960 0.006 0.000 0.294 197 G HA3 -0.292 3.672 3.960 0.006 0.000 0.294 197 G C -0.072 174.825 174.900 -0.006 0.000 0.939 197 G CA 0.409 45.508 45.100 -0.002 0.000 1.143 197 G HN 0.663 nan 8.290 nan 0.000 0.507 198 K N -1.167 119.223 120.400 -0.017 0.000 2.501 198 K HA 0.477 4.801 4.320 0.006 0.000 0.252 198 K C 0.687 177.270 176.600 -0.028 0.000 0.934 198 K CA -1.104 55.175 56.287 -0.014 0.000 0.797 198 K CB 1.254 33.739 32.500 -0.025 0.000 1.270 198 K HN -0.037 nan 8.250 nan 0.000 0.431 199 K N 1.388 121.776 120.400 -0.019 0.000 2.166 199 K HA 0.157 4.481 4.320 0.006 0.000 0.201 199 K C -0.188 176.378 176.600 -0.056 0.000 1.052 199 K CA 1.051 57.320 56.287 -0.031 0.000 0.969 199 K CB 0.102 32.595 32.500 -0.012 0.000 0.761 199 K HN 0.556 nan 8.250 nan 0.000 0.459 200 N N 0.779 119.455 118.700 -0.041 0.000 2.479 200 N HA 0.118 4.861 4.740 0.006 0.000 0.285 200 N C -0.945 174.514 175.510 -0.084 0.000 1.075 200 N CA -0.789 52.229 53.050 -0.054 0.000 0.967 200 N CB 0.881 39.364 38.487 -0.005 0.000 1.137 200 N HN -0.171 nan 8.380 nan 0.000 0.472 201 L N 1.420 122.559 121.223 -0.141 0.000 2.489 201 L HA 0.064 4.407 4.340 0.006 0.000 0.285 201 L C 0.313 177.167 176.870 -0.027 0.000 1.259 201 L CA 0.514 55.272 54.840 -0.138 0.000 0.828 201 L CB 0.085 42.027 42.059 -0.195 0.000 1.094 201 L HN 0.299 nan 8.230 nan 0.000 0.524 202 V N 0.914 120.843 119.914 0.025 0.000 2.823 202 V HA 0.697 4.820 4.120 0.006 0.000 0.312 202 V C -0.339 175.877 176.094 0.203 0.000 1.072 202 V CA -0.194 62.152 62.300 0.076 0.000 0.937 202 V CB 2.338 34.078 31.823 -0.139 0.000 1.013 202 V HN 0.836 nan 8.190 nan 0.000 0.430 203 T N 5.382 120.067 114.554 0.217 0.000 2.824 203 T HA 0.716 5.070 4.350 0.006 0.000 0.282 203 T C -0.915 173.880 174.700 0.158 0.000 0.993 203 T CA -0.318 61.923 62.100 0.234 0.000 0.967 203 T CB 1.464 70.506 68.868 0.290 0.000 0.960 203 T HN 0.722 nan 8.240 nan 0.000 0.441 204 V N 3.905 123.883 119.914 0.107 0.000 2.735 204 V HA 0.596 4.719 4.120 0.006 0.000 0.310 204 V C -0.949 175.060 176.094 -0.141 0.000 1.061 204 V CA -1.015 61.264 62.300 -0.035 0.000 0.913 204 V CB 1.971 33.669 31.823 -0.209 0.000 1.005 204 V HN 0.608 nan 8.190 nan 0.000 0.428 205 L N 3.788 124.949 121.223 -0.104 0.000 2.317 205 L HA 0.637 4.980 4.340 0.006 0.000 0.281 205 L C -1.019 175.819 176.870 -0.053 0.000 1.024 205 L CA -0.148 54.667 54.840 -0.042 0.000 0.810 205 L CB 1.246 43.342 42.059 0.061 0.000 1.240 205 L HN 0.508 nan 8.230 nan 0.000 0.427 206 Y N 3.007 123.413 120.300 0.177 0.000 2.462 206 Y HA 0.494 5.048 4.550 0.006 0.000 0.346 206 Y C -2.225 173.703 175.900 0.046 0.000 0.976 206 Y CA -2.859 55.319 58.100 0.130 0.000 1.044 206 Y CB 1.883 40.411 38.460 0.114 0.000 1.230 206 Y HN 0.407 nan 8.280 nan 0.000 0.455 207 P HA 0.057 nan 4.420 nan 0.000 0.281 207 P C -0.151 177.157 177.300 0.013 0.000 1.286 207 P CA -0.063 63.058 63.100 0.035 0.000 0.772 207 P CB 1.260 32.887 31.700 -0.121 0.000 0.862 208 S N 3.231 118.959 115.700 0.047 0.000 2.537 208 S HA 0.340 4.814 4.470 0.006 0.000 0.286 208 S C 1.443 176.048 174.600 0.008 0.000 1.299 208 S CA 1.119 59.339 58.200 0.034 0.000 1.067 208 S CB -1.035 62.192 63.200 0.045 0.000 0.864 208 S HN 0.857 nan 8.310 nan 0.000 0.494 209 G N 3.598 112.394 108.800 -0.006 0.000 2.159 209 G HA2 -0.180 3.784 3.960 0.006 0.000 0.227 209 G HA3 -0.180 3.784 3.960 0.006 0.000 0.227 209 G C -0.062 174.819 174.900 -0.032 0.000 0.986 209 G CA 0.073 45.166 45.100 -0.011 0.000 0.651 209 G HN 0.753 nan 8.290 nan 0.000 0.523 210 I N 2.015 122.547 120.570 -0.063 0.000 2.433 210 I HA 0.415 4.589 4.170 0.006 0.000 0.292 210 I C -2.181 173.874 176.117 -0.104 0.000 1.001 210 I CA -2.537 58.707 61.300 -0.093 0.000 1.119 210 I CB 2.384 40.288 38.000 -0.159 0.000 1.289 210 I HN -0.117 nan 8.210 nan 0.000 0.438 211 P HA 0.231 nan 4.420 nan 0.000 0.282 211 P C -0.088 177.148 177.300 -0.107 0.000 1.249 211 P CA -0.398 62.653 63.100 -0.082 0.000 0.806 211 P CB 0.863 32.535 31.700 -0.047 0.000 0.984 212 D N 1.338 121.661 120.400 -0.128 0.000 2.218 212 D HA -0.235 4.409 4.640 0.006 0.000 0.194 212 D C 0.991 177.239 176.300 -0.086 0.000 1.007 212 D CA 1.897 55.807 54.000 -0.150 0.000 0.879 212 D CB -0.512 40.213 40.800 -0.125 0.000 0.918 212 D HN 0.612 nan 8.370 nan 0.000 0.449 213 D N -0.434 119.935 120.400 -0.053 0.000 2.392 213 D HA -0.118 4.526 4.640 0.006 0.000 0.228 213 D C 1.336 177.632 176.300 -0.007 0.000 1.003 213 D CA 0.622 54.609 54.000 -0.022 0.000 0.917 213 D CB -0.140 40.653 40.800 -0.012 0.000 0.890 213 D HN 0.144 nan 8.370 nan 0.000 0.532 214 Q N -0.520 119.270 119.800 -0.017 0.000 2.217 214 Q HA 0.274 4.618 4.340 0.006 0.000 0.217 214 Q C 1.051 177.076 176.000 0.040 0.000 0.844 214 Q CA 0.043 55.853 55.803 0.011 0.000 0.957 214 Q CB 1.026 29.759 28.738 -0.008 0.000 1.127 214 Q HN 0.410 nan 8.270 nan 0.000 0.503 215 L N 0.197 121.429 121.223 0.015 0.000 2.818 215 L HA 0.182 4.525 4.340 0.006 0.000 0.243 215 L C 1.944 178.904 176.870 0.151 0.000 1.185 215 L CA 0.091 54.989 54.840 0.097 0.000 0.988 215 L CB 0.248 42.289 42.059 -0.030 0.000 1.292 215 L HN 0.114 nan 8.230 nan 0.000 0.519 216 Q N 1.165 121.024 119.800 0.099 0.000 1.965 216 Q HA -0.196 4.148 4.340 0.006 0.000 0.200 216 Q C 2.436 178.498 176.000 0.103 0.000 0.981 216 Q CA 2.083 57.928 55.803 0.069 0.000 0.834 216 Q CB -0.057 28.704 28.738 0.038 0.000 0.900 216 Q HN 0.524 nan 8.270 nan 0.000 0.426 217 A N 0.353 123.250 122.820 0.127 0.000 1.942 217 A HA -0.337 3.986 4.320 0.006 0.000 0.227 217 A C 1.932 179.640 177.584 0.206 0.000 1.445 217 A CA 2.279 54.404 52.037 0.145 0.000 0.704 217 A CB -1.575 17.514 19.000 0.148 0.000 0.841 217 A HN 0.773 nan 8.150 nan 0.000 0.495 218 Y N -0.614 119.757 120.300 0.118 0.000 2.243 218 Y HA -0.108 4.446 4.550 0.006 0.000 0.293 218 Y C 2.742 178.698 175.900 0.093 0.000 1.124 218 Y CA 1.264 59.439 58.100 0.124 0.000 1.159 218 Y CB -0.128 38.477 38.460 0.241 0.000 1.008 218 Y HN 0.255 nan 8.280 nan 0.000 0.527 219 R N 0.778 121.316 120.500 0.063 0.000 2.112 219 R HA -0.224 4.120 4.340 0.006 0.000 0.242 219 R C 2.291 178.621 176.300 0.051 0.000 1.137 219 R CA 2.163 58.264 56.100 0.001 0.000 0.944 219 R CB -0.275 30.065 30.300 0.067 0.000 0.857 219 R HN 0.347 nan 8.270 nan 0.000 0.435 220 K N 0.665 121.038 120.400 -0.045 0.000 2.015 220 K HA -0.233 4.090 4.320 0.006 0.000 0.216 220 K C 2.050 178.680 176.600 0.051 0.000 1.052 220 K CA 1.951 58.159 56.287 -0.132 0.000 0.937 220 K CB -0.278 32.201 32.500 -0.035 0.000 0.719 220 K HN 0.334 nan 8.250 nan 0.000 0.446 221 E N 0.816 121.076 120.200 0.100 0.000 2.147 221 E HA -0.206 4.148 4.350 0.006 0.000 0.199 221 E C 2.102 178.750 176.600 0.079 0.000 1.005 221 E CA 1.128 57.600 56.400 0.120 0.000 0.810 221 E CB -0.183 29.622 29.700 0.175 0.000 0.736 221 E HN 0.258 nan 8.360 nan 0.000 0.460 222 L N 0.179 121.387 121.223 -0.026 0.000 2.131 222 L HA -0.194 4.150 4.340 0.006 0.000 0.210 222 L C 2.436 179.397 176.870 0.151 0.000 1.092 222 L CA 1.009 55.767 54.840 -0.136 0.000 0.759 222 L CB -0.544 41.032 42.059 -0.804 0.000 0.903 222 L HN 0.304 nan 8.230 nan 0.000 0.435 223 H N -0.306 118.827 119.070 0.105 0.000 2.276 223 H HA -0.155 4.404 4.556 0.006 0.000 0.301 223 H C 1.789 177.259 175.328 0.237 0.000 1.073 223 H CA 1.391 57.580 56.048 0.235 0.000 1.311 223 H CB 0.049 29.817 29.762 0.008 0.000 1.379 223 H HN 0.306 nan 8.280 nan 0.000 0.494 224 D N 0.998 121.620 120.400 0.369 0.000 2.230 224 D HA -0.200 4.444 4.640 0.006 0.000 0.189 224 D C 2.334 178.699 176.300 0.109 0.000 1.006 224 D CA 1.021 55.163 54.000 0.237 0.000 0.853 224 D CB -0.749 40.158 40.800 0.178 0.000 0.959 224 D HN 0.126 nan 8.370 nan 0.000 0.449 225 L N -0.477 120.763 121.223 0.028 0.000 2.021 225 L HA -0.205 4.138 4.340 0.006 0.000 0.215 225 L C 1.674 178.366 176.870 -0.297 0.000 1.074 225 L CA 1.675 56.403 54.840 -0.187 0.000 0.760 225 L CB -0.374 41.492 42.059 -0.321 0.000 0.889 225 L HN 0.002 nan 8.230 nan 0.000 0.433 226 F N -0.485 119.487 119.950 0.036 0.000 2.668 226 F HA 0.248 4.779 4.527 0.006 0.000 0.297 226 F C 0.858 176.659 175.800 0.002 0.000 1.124 226 F CA -0.439 57.574 58.000 0.022 0.000 1.353 226 F CB -0.735 38.296 39.000 0.051 0.000 0.992 226 F HN 0.079 nan 8.300 nan 0.000 0.524 227 N N 1.413 120.201 118.700 0.148 0.000 2.714 227 N HA -0.201 4.542 4.740 0.006 0.000 0.253 227 N C -1.306 174.273 175.510 0.115 0.000 1.024 227 N CA 0.496 53.615 53.050 0.116 0.000 0.726 227 N CB -1.156 37.374 38.487 0.071 0.000 0.908 227 N HN 0.266 nan 8.380 nan 0.000 0.542 228 L N 0.044 121.376 121.223 0.181 0.000 2.342 228 L HA 0.674 5.018 4.340 0.006 0.000 0.271 228 L C -1.731 175.380 176.870 0.402 0.000 1.008 228 L CA -2.006 52.937 54.840 0.171 0.000 0.818 228 L CB 1.414 43.427 42.059 -0.076 0.000 1.296 228 L HN -0.055 nan 8.230 nan 0.000 0.427 229 P HA -0.033 nan 4.420 nan 0.000 0.267 229 P C -0.517 177.139 177.300 0.594 0.000 1.200 229 P CA -0.027 63.307 63.100 0.390 0.000 0.772 229 P CB 0.493 32.371 31.700 0.296 0.000 0.855 230 H N 0.660 119.848 119.070 0.197 0.000 2.592 230 H HA -0.001 4.559 4.556 0.006 0.000 0.291 230 H C 1.155 176.522 175.328 0.067 0.000 1.052 230 H CA 0.274 56.363 56.048 0.069 0.000 1.175 230 H CB -0.467 29.285 29.762 -0.017 0.000 1.378 230 H HN 0.480 nan 8.280 nan 0.000 0.576 231 D N -0.914 119.628 120.400 0.236 0.000 2.366 231 D HA -0.019 4.624 4.640 0.006 0.000 0.205 231 D C 0.724 177.101 176.300 0.128 0.000 1.022 231 D CA 0.040 54.140 54.000 0.166 0.000 0.868 231 D CB 0.705 41.600 40.800 0.159 0.000 0.953 231 D HN 0.107 nan 8.370 nan 0.000 0.514 232 R N 0.638 121.190 120.500 0.085 0.000 2.494 232 R HA 0.455 4.798 4.340 0.006 0.000 0.305 232 R C -2.850 173.260 176.300 -0.316 0.000 0.959 232 R CA -2.018 53.986 56.100 -0.160 0.000 0.864 232 R CB 2.098 32.223 30.300 -0.292 0.000 1.159 232 R HN -0.119 nan 8.270 nan 0.000 0.446 233 P HA 0.125 nan 4.420 nan 0.000 0.276 233 P C -0.946 175.986 177.300 -0.614 0.000 1.230 233 P CA 0.099 62.963 63.100 -0.394 0.000 0.776 233 P CB 0.488 31.920 31.700 -0.447 0.000 0.888 234 Y N 0.624 120.700 120.300 -0.372 0.000 2.476 234 Y HA 0.335 4.888 4.550 0.006 0.000 0.274 234 Y C 0.571 175.861 175.900 -1.017 0.000 1.120 234 Y CA 0.319 57.970 58.100 -0.749 0.000 1.214 234 Y CB 0.365 38.133 38.460 -1.152 0.000 1.285 234 Y HN 0.169 nan 8.280 nan 0.000 0.520 235 F N 0.751 120.520 119.950 -0.301 0.000 2.761 235 F HA 0.401 4.931 4.527 0.006 0.000 0.367 235 F C -0.019 175.576 175.800 -0.341 0.000 1.386 235 F CA -1.051 56.534 58.000 -0.691 0.000 1.177 235 F CB 0.187 38.852 39.000 -0.557 0.000 1.092 235 F HN -0.386 nan 8.300 nan 0.000 0.517 236 K N -0.234 120.124 120.400 -0.070 0.000 2.139 236 K HA 0.460 4.784 4.320 0.006 0.000 0.243 236 K C 1.185 177.875 176.600 0.151 0.000 0.983 236 K CA -0.868 55.408 56.287 -0.018 0.000 0.890 236 K CB 1.498 33.962 32.500 -0.059 0.000 1.090 236 K HN 0.121 nan 8.250 nan 0.000 0.445 237 R N 0.543 121.105 120.500 0.104 0.000 2.119 237 R HA -0.174 4.170 4.340 0.006 0.000 0.246 237 R C 1.916 178.348 176.300 0.220 0.000 1.146 237 R CA 1.292 57.523 56.100 0.220 0.000 0.962 237 R CB -0.303 30.049 30.300 0.086 0.000 0.863 237 R HN 0.506 nan 8.270 nan 0.000 0.442 238 I N 1.877 122.518 120.570 0.120 0.000 2.423 238 I HA -0.241 3.933 4.170 0.006 0.000 0.254 238 I C 0.983 177.188 176.117 0.146 0.000 1.151 238 I CA 1.488 62.847 61.300 0.099 0.000 1.421 238 I CB -0.907 37.105 38.000 0.021 0.000 1.079 238 I HN 0.217 nan 8.210 nan 0.000 0.431 239 N N 0.504 119.313 118.700 0.182 0.000 2.512 239 N HA 0.035 4.779 4.740 0.006 0.000 0.183 239 N C 0.892 176.620 175.510 0.364 0.000 1.073 239 N CA 0.293 53.459 53.050 0.193 0.000 0.911 239 N CB -0.024 38.502 38.487 0.064 0.000 0.964 239 N HN 0.311 nan 8.380 nan 0.000 0.447 240 A N 0.972 124.024 122.820 0.387 0.000 2.583 240 A HA -0.127 4.196 4.320 0.006 0.000 0.231 240 A C -0.155 177.476 177.584 0.078 0.000 1.065 240 A CA 0.013 52.083 52.037 0.054 0.000 0.760 240 A CB -0.167 18.777 19.000 -0.093 0.000 1.001 240 A HN 0.357 nan 8.150 nan 0.000 0.509 241 Y N 0.948 121.147 120.300 -0.170 0.000 2.497 241 Y HA 0.318 4.872 4.550 0.007 0.000 0.334 241 Y C 0.391 176.151 175.900 -0.234 0.000 1.199 241 Y CA 0.475 58.445 58.100 -0.217 0.000 1.425 241 Y CB 0.297 38.514 38.460 -0.405 0.000 1.291 241 Y HN 0.770 nan 8.280 nan 0.000 0.562 242 H N 6.082 124.608 119.070 -0.906 0.000 2.556 242 H HA 0.312 4.871 4.556 0.006 0.000 0.310 242 H C -1.467 173.214 175.328 -1.077 0.000 1.057 242 H CA -0.771 54.843 56.048 -0.724 0.000 1.264 242 H CB -0.086 29.439 29.762 -0.395 0.000 1.404 242 H HN 0.569 nan 8.280 nan 0.000 0.462 243 F N 7.496 126.857 119.950 -0.982 0.000 2.494 243 F HA 0.135 4.666 4.527 0.006 0.000 0.369 243 F C -1.154 174.253 175.800 -0.655 0.000 1.098 243 F CA -1.842 55.774 58.000 -0.640 0.000 1.154 243 F CB 0.761 39.583 39.000 -0.297 0.000 1.103 243 F HN 0.665 nan 8.300 nan 0.000 0.549 244 P HA -0.265 nan 4.420 nan 0.000 0.219 244 P C 0.906 178.133 177.300 -0.122 0.000 1.151 244 P CA 1.688 64.702 63.100 -0.143 0.000 0.850 244 P CB 0.002 31.680 31.700 -0.037 0.000 0.784 245 D N -1.501 118.837 120.400 -0.104 0.000 2.328 245 D HA -0.020 4.623 4.640 0.006 0.000 0.226 245 D C 0.178 176.407 176.300 -0.118 0.000 1.066 245 D CA 0.238 54.182 54.000 -0.094 0.000 0.861 245 D CB -0.123 40.629 40.800 -0.080 0.000 0.912 245 D HN 0.259 nan 8.370 nan 0.000 0.521 246 E N 0.158 120.247 120.200 -0.185 0.000 2.244 246 E HA 0.559 4.912 4.350 0.006 0.000 0.266 246 E C -0.488 176.062 176.600 -0.083 0.000 0.914 246 E CA -0.977 55.327 56.400 -0.160 0.000 0.794 246 E CB 2.409 31.981 29.700 -0.213 0.000 1.210 246 E HN 0.013 nan 8.360 nan 0.000 0.414 247 L N 1.342 122.552 121.223 -0.022 0.000 2.375 247 L HA 0.343 4.687 4.340 0.006 0.000 0.268 247 L C -0.659 176.242 176.870 0.052 0.000 1.058 247 L CA -0.817 54.059 54.840 0.060 0.000 0.803 247 L CB 0.496 42.593 42.059 0.063 0.000 1.212 247 L HN 0.486 nan 8.230 nan 0.000 0.451 248 Y N 2.313 122.682 120.300 0.114 0.000 2.486 248 Y HA 0.060 4.614 4.550 0.006 0.000 0.348 248 Y C 1.320 177.267 175.900 0.079 0.000 1.000 248 Y CA -0.512 57.645 58.100 0.095 0.000 1.253 248 Y CB 0.637 39.133 38.460 0.059 0.000 1.140 248 Y HN 0.500 nan 8.280 nan 0.000 0.526 249 K N 1.228 121.737 120.400 0.182 0.000 2.052 249 K HA -0.297 4.026 4.320 0.006 0.000 0.215 249 K C 1.116 177.801 176.600 0.142 0.000 1.053 249 K CA 2.265 58.627 56.287 0.126 0.000 0.934 249 K CB -0.693 31.862 32.500 0.091 0.000 0.717 249 K HN 0.778 nan 8.250 nan 0.000 0.450 250 D N -0.177 120.335 120.400 0.187 0.000 2.264 250 D HA -0.056 4.587 4.640 0.006 0.000 0.208 250 D C 1.402 177.827 176.300 0.208 0.000 0.966 250 D CA 1.686 55.807 54.000 0.202 0.000 0.864 250 D CB -0.157 40.782 40.800 0.231 0.000 0.933 250 D HN 0.549 nan 8.370 nan 0.000 0.499 251 G N -1.607 107.307 108.800 0.189 0.000 2.195 251 G HA2 -0.245 3.718 3.960 0.006 0.000 0.224 251 G HA3 -0.245 3.718 3.960 0.006 0.000 0.224 251 G C -0.178 174.713 174.900 -0.015 0.000 0.990 251 G CA -0.004 45.131 45.100 0.058 0.000 0.639 251 G HN 0.328 nan 8.290 nan 0.000 0.514 252 Y N 1.574 121.839 120.300 -0.059 0.000 2.346 252 Y HA 0.534 5.088 4.550 0.007 0.000 0.330 252 Y C 1.346 177.157 175.900 -0.149 0.000 1.178 252 Y CA -1.116 56.912 58.100 -0.120 0.000 1.331 252 Y CB 0.541 38.879 38.460 -0.204 0.000 1.253 252 Y HN 0.032 nan 8.280 nan 0.000 0.529 253 I N 4.044 124.649 120.570 0.059 0.000 2.587 253 I HA 0.044 4.217 4.170 0.006 0.000 0.284 253 I C 0.400 176.462 176.117 -0.092 0.000 1.134 253 I CA -0.125 61.181 61.300 0.009 0.000 1.410 253 I CB -0.112 37.953 38.000 0.108 0.000 1.392 253 I HN 0.532 nan 8.210 nan 0.000 0.545 254 R N 4.261 124.588 120.500 -0.289 0.000 2.596 254 R HA 0.295 4.639 4.340 0.006 0.000 0.267 254 R C -0.001 176.061 176.300 -0.398 0.000 1.026 254 R CA -0.780 55.054 56.100 -0.445 0.000 1.087 254 R CB 0.162 30.070 30.300 -0.654 0.000 1.132 254 R HN 0.501 nan 8.270 nan 0.000 0.531 255 N N 1.302 119.570 118.700 -0.719 0.000 2.696 255 N HA -0.165 4.578 4.740 0.006 0.000 0.271 255 N C -2.052 173.352 175.510 -0.176 0.000 0.997 255 N CA 0.582 53.336 53.050 -0.494 0.000 0.801 255 N CB -0.267 38.040 38.487 -0.299 0.000 0.913 255 N HN 0.507 nan 8.380 nan 0.000 0.557 256 P HA -0.154 nan 4.420 nan 0.000 0.224 256 P C 1.012 178.355 177.300 0.072 0.000 1.157 256 P CA 1.135 64.271 63.100 0.059 0.000 0.799 256 P CB -0.007 31.766 31.700 0.121 0.000 0.809 257 H N -1.165 117.955 119.070 0.084 0.000 2.518 257 H HA 0.000 4.560 4.556 0.006 0.000 0.289 257 H C 1.408 176.777 175.328 0.068 0.000 1.051 257 H CA 1.290 57.357 56.048 0.031 0.000 1.280 257 H CB -1.459 28.303 29.762 0.000 0.000 1.380 257 H HN -0.010 nan 8.280 nan 0.000 0.566 258 T N -0.137 114.057 114.554 -0.600 0.000 2.881 258 T HA -0.175 4.179 4.350 0.006 0.000 0.270 258 T C 0.296 174.925 174.700 -0.119 0.000 1.068 258 T CA 0.969 62.806 62.100 -0.437 0.000 1.131 258 T CB -0.418 68.290 68.868 -0.266 0.000 0.871 258 T HN 0.501 nan 8.240 nan 0.000 0.479 259 Y N 0.692 120.937 120.300 -0.091 0.000 2.722 259 Y HA 0.501 5.055 4.550 0.006 0.000 0.314 259 Y C -0.412 175.498 175.900 0.018 0.000 1.008 259 Y CA -0.659 57.427 58.100 -0.023 0.000 1.294 259 Y CB 0.383 38.832 38.460 -0.018 0.000 1.231 259 Y HN 0.089 nan 8.280 nan 0.000 0.558 260 L N 0.595 121.847 121.223 0.049 0.000 2.346 260 L HA 0.447 4.791 4.340 0.006 0.000 0.276 260 L C 0.088 177.001 176.870 0.072 0.000 1.006 260 L CA -1.052 53.842 54.840 0.091 0.000 0.817 260 L CB 1.857 44.010 42.059 0.157 0.000 1.272 260 L HN 0.137 nan 8.230 nan 0.000 0.421 261 S N 2.099 117.831 115.700 0.053 0.000 2.516 261 S HA 0.270 4.743 4.470 0.006 0.000 0.282 261 S C -2.400 172.207 174.600 0.012 0.000 1.286 261 S CA -1.200 57.004 58.200 0.007 0.000 1.066 261 S CB -0.114 63.078 63.200 -0.013 0.000 0.884 261 S HN 0.315 nan 8.310 nan 0.000 0.491 262 P HA 0.290 nan 4.420 nan 0.000 0.271 262 P C -2.021 175.074 177.300 -0.343 0.000 1.216 262 P CA -1.098 61.866 63.100 -0.227 0.000 0.771 262 P CB -0.289 31.308 31.700 -0.172 0.000 0.864 263 P HA 0.078 nan 4.420 nan 0.000 0.286 263 P C -0.587 176.545 177.300 -0.280 0.000 1.293 263 P CA -0.416 62.443 63.100 -0.402 0.000 0.770 263 P CB 0.272 31.645 31.700 -0.544 0.000 1.206 264 N N 0.834 119.418 118.700 -0.193 0.000 2.381 264 N HA 0.064 4.808 4.740 0.006 0.000 0.288 264 N C 0.131 175.538 175.510 -0.172 0.000 1.346 264 N CA 0.290 53.250 53.050 -0.149 0.000 0.970 264 N CB -1.183 37.241 38.487 -0.104 0.000 1.351 264 N HN 0.337 nan 8.380 nan 0.000 0.488 265 I N -2.928 117.538 120.570 -0.174 0.000 2.740 265 I HA 0.554 4.728 4.170 0.006 0.000 0.303 265 I C 0.525 176.565 176.117 -0.129 0.000 1.044 265 I CA -0.935 60.260 61.300 -0.174 0.000 1.064 265 I CB 2.004 39.874 38.000 -0.217 0.000 1.249 265 I HN 0.033 nan 8.210 nan 0.000 0.433 266 E N 2.906 123.035 120.200 -0.118 0.000 2.307 266 E HA 0.380 4.734 4.350 0.006 0.000 0.192 266 E C 1.247 177.787 176.600 -0.101 0.000 0.967 266 E CA 0.752 57.093 56.400 -0.098 0.000 1.042 266 E CB 0.208 29.857 29.700 -0.084 0.000 1.126 266 E HN 0.874 nan 8.360 nan 0.000 0.484 267 G N 0.822 109.556 108.800 -0.111 0.000 4.331 267 G HA2 0.247 4.210 3.960 0.006 0.000 0.299 267 G HA3 0.247 4.210 3.960 0.006 0.000 0.299 267 G C -0.278 174.542 174.900 -0.134 0.000 1.158 267 G CA -0.034 44.998 45.100 -0.114 0.000 0.916 267 G HN 0.174 nan 8.290 nan 0.000 0.553 268 S N -0.419 115.203 115.700 -0.130 0.000 2.645 268 S HA 0.695 5.168 4.470 0.006 0.000 0.266 268 S C -0.003 174.541 174.600 -0.094 0.000 1.258 268 S CA -0.623 57.500 58.200 -0.128 0.000 0.990 268 S CB 1.975 65.091 63.200 -0.140 0.000 0.967 268 S HN 0.190 nan 8.310 nan 0.000 0.556 269 M N 1.448 121.018 119.600 -0.049 0.000 2.364 269 M HA 0.554 5.038 4.480 0.006 0.000 0.334 269 M C -1.793 174.527 176.300 0.033 0.000 1.107 269 M CA -0.657 54.648 55.300 0.009 0.000 0.988 269 M CB 0.945 33.586 32.600 0.068 0.000 1.673 269 M HN 0.667 nan 8.290 nan 0.000 0.441 270 I N 4.137 124.723 120.570 0.027 0.000 2.382 270 I HA 0.370 4.544 4.170 0.006 0.000 0.286 270 I C -1.302 174.861 176.117 0.077 0.000 1.002 270 I CA -0.650 60.672 61.300 0.035 0.000 1.135 270 I CB 1.424 39.417 38.000 -0.011 0.000 1.288 270 I HN 0.688 nan 8.210 nan 0.000 0.448 271 C N 6.192 125.539 119.300 0.078 0.000 2.346 271 C HA 0.730 5.194 4.460 0.006 0.000 0.326 271 C C 0.116 175.058 174.990 -0.079 0.000 1.224 271 C CA -0.690 58.382 59.018 0.088 0.000 1.408 271 C CB 1.280 29.122 27.740 0.171 0.000 2.089 271 C HN 0.598 nan 8.230 nan 0.000 0.456 272 V N 3.677 123.599 119.914 0.013 0.000 3.158 272 V HA 0.718 4.842 4.120 0.006 0.000 0.311 272 V C -0.503 175.745 176.094 0.257 0.000 1.181 272 V CA -0.568 61.672 62.300 -0.101 0.000 1.054 272 V CB 2.587 34.421 31.823 0.019 0.000 1.085 272 V HN 0.785 nan 8.190 nan 0.000 0.446 273 V N 2.650 122.700 119.914 0.227 0.000 2.599 273 V HA 0.256 4.380 4.120 0.006 0.000 0.300 273 V C 0.150 176.426 176.094 0.303 0.000 1.034 273 V CA -0.096 62.377 62.300 0.287 0.000 1.115 273 V CB 0.169 32.068 31.823 0.127 0.000 0.934 273 V HN 0.925 nan 8.190 nan 0.000 0.485 274 Q N 3.689 123.681 119.800 0.320 0.000 2.465 274 Q HA 0.677 5.021 4.340 0.006 0.000 0.237 274 Q C 0.186 176.425 176.000 0.399 0.000 1.051 274 Q CA 0.050 56.046 55.803 0.322 0.000 0.874 274 Q CB 1.071 29.947 28.738 0.231 0.000 1.207 274 Q HN 1.351 nan 8.270 nan 0.000 0.508 275 G N 1.421 110.413 108.800 0.319 0.000 2.278 275 G HA2 0.010 3.974 3.960 0.006 0.000 0.265 275 G HA3 0.010 3.974 3.960 0.006 0.000 0.265 275 G C -1.007 173.976 174.900 0.138 0.000 1.329 275 G CA -0.318 44.862 45.100 0.133 0.000 1.017 275 G HN 0.817 nan 8.290 nan 0.000 0.472 276 T N -1.483 113.016 114.554 -0.092 0.000 2.885 276 T HA 0.868 5.222 4.350 0.006 0.000 0.285 276 T C -0.606 174.018 174.700 -0.126 0.000 1.019 276 T CA 0.242 62.225 62.100 -0.195 0.000 1.010 276 T CB 1.797 70.373 68.868 -0.487 0.000 1.022 276 T HN 2.045 nan 8.240 nan 0.000 0.466 277 Y N -0.041 120.204 120.300 -0.092 0.000 2.609 277 Y HA 0.811 5.364 4.550 0.005 0.000 0.336 277 Y C -0.922 175.037 175.900 0.098 0.000 1.129 277 Y CA -1.696 56.488 58.100 0.141 0.000 1.040 277 Y CB 0.822 39.469 38.460 0.311 0.000 1.310 277 Y HN 0.929 nan 8.280 nan 0.000 0.460 278 A N 2.137 125.118 122.820 0.268 0.000 2.306 278 A HA 0.468 4.792 4.320 0.006 0.000 0.330 278 A C -1.819 176.027 177.584 0.436 0.000 1.146 278 A CA -0.817 51.309 52.037 0.148 0.000 0.827 278 A CB 0.597 19.587 19.000 -0.017 0.000 1.178 278 A HN 0.979 nan 8.150 nan 0.000 0.490 279 Y N 3.483 123.906 120.300 0.204 0.000 2.556 279 Y HA 0.184 4.739 4.550 0.007 0.000 0.352 279 Y C -0.197 175.840 175.900 0.228 0.000 1.006 279 Y CA -0.594 57.691 58.100 0.308 0.000 1.277 279 Y CB 0.073 38.705 38.460 0.287 0.000 1.136 279 Y HN 0.633 nan 8.280 nan 0.000 0.523 280 H N 6.433 125.817 119.070 0.523 0.000 2.652 280 H HA 0.167 4.726 4.556 0.005 0.000 0.298 280 H C -0.553 174.926 175.328 0.252 0.000 1.076 280 H CA -0.164 56.061 56.048 0.294 0.000 1.360 280 H CB 0.702 30.578 29.762 0.191 0.000 1.421 280 H HN 0.821 nan 8.280 nan 0.000 0.464 281 H N 0.508 119.653 119.070 0.125 0.000 2.906 281 H HA 0.315 4.874 4.556 0.005 0.000 0.337 281 H C -0.528 174.826 175.328 0.042 0.000 1.257 281 H CA -0.960 55.089 56.048 0.002 0.000 1.192 281 H CB 0.568 30.184 29.762 -0.243 0.000 1.912 281 H HN 0.428 nan 8.280 nan 0.000 0.573 282 Y N 0.481 120.785 120.300 0.007 0.000 2.641 282 Y HA -0.111 4.443 4.550 0.006 0.000 0.351 282 Y C 0.873 176.674 175.900 -0.165 0.000 1.269 282 Y CA -0.245 57.791 58.100 -0.106 0.000 1.485 282 Y CB 0.327 38.719 38.460 -0.113 0.000 1.364 282 Y HN 0.569 nan 8.280 nan 0.000 0.651 283 M N 0.884 120.470 119.600 -0.024 0.000 2.297 283 M HA -0.271 4.212 4.480 0.006 0.000 0.200 283 M C -1.031 175.175 176.300 -0.156 0.000 0.414 283 M CA 1.087 56.324 55.300 -0.105 0.000 0.449 283 M CB -2.307 30.238 32.600 -0.092 0.000 1.436 283 M HN 0.744 nan 8.290 nan 0.000 0.912 284 Q N -1.093 118.618 119.800 -0.148 0.000 2.528 284 Q HA 0.488 4.832 4.340 0.006 0.000 0.289 284 Q C 0.194 176.171 176.000 -0.038 0.000 1.091 284 Q CA -0.862 54.856 55.803 -0.142 0.000 0.797 284 Q CB 1.202 29.821 28.738 -0.198 0.000 1.466 284 Q HN 0.361 nan 8.270 nan 0.000 0.436 285 D N 0.372 120.772 120.400 0.001 0.000 2.882 285 D HA -0.259 4.385 4.640 0.006 0.000 0.229 285 D C -0.498 175.798 176.300 -0.007 0.000 1.167 285 D CA 1.168 55.188 54.000 0.033 0.000 0.759 285 D CB -0.864 39.989 40.800 0.088 0.000 1.088 285 D HN 0.690 nan 8.370 nan 0.000 0.425 286 R N -2.593 117.884 120.500 -0.039 0.000 3.977 286 R HA -0.247 4.097 4.340 0.006 0.000 0.428 286 R C 0.313 176.573 176.300 -0.067 0.000 1.079 286 R CA 1.288 57.358 56.100 -0.049 0.000 1.269 286 R CB -1.897 28.383 30.300 -0.032 0.000 1.856 286 R HN 0.623 nan 8.270 nan 0.000 0.551 287 I N 1.916 122.432 120.570 -0.090 0.000 2.304 287 I HA 0.114 4.287 4.170 0.006 0.000 0.291 287 I C -0.013 175.992 176.117 -0.186 0.000 1.018 287 I CA -0.548 60.667 61.300 -0.142 0.000 1.260 287 I CB 0.773 38.647 38.000 -0.211 0.000 1.390 287 I HN -0.047 nan 8.210 nan 0.000 0.475 288 D N 6.687 127.006 120.400 -0.134 0.000 2.416 288 D HA 0.011 4.654 4.640 0.006 0.000 0.240 288 D C 0.194 176.390 176.300 -0.173 0.000 1.250 288 D CA -0.016 53.898 54.000 -0.143 0.000 0.967 288 D CB 0.481 41.237 40.800 -0.074 0.000 1.059 288 D HN 0.583 nan 8.370 nan 0.000 0.512 289 D N 1.779 121.901 120.400 -0.464 0.000 2.462 289 D HA -0.038 4.606 4.640 0.006 0.000 0.221 289 D C 0.006 175.566 176.300 -1.232 0.000 1.173 289 D CA -0.555 52.865 54.000 -0.965 0.000 0.831 289 D CB -0.525 39.477 40.800 -1.331 0.000 1.001 289 D HN 0.119 nan 8.370 nan 0.000 0.499 290 N N 0.856 119.090 118.700 -0.777 0.000 2.400 290 N HA 0.268 5.011 4.740 0.006 0.000 0.278 290 N C 1.050 176.351 175.510 -0.348 0.000 1.247 290 N CA 1.219 53.828 53.050 -0.734 0.000 0.970 290 N CB 0.002 38.341 38.487 -0.246 0.000 1.312 290 N HN 0.357 nan 8.380 nan 0.000 0.488 291 G N 2.914 111.502 108.800 -0.353 0.000 2.901 291 G HA2 -0.146 3.818 3.960 0.006 0.000 0.194 291 G HA3 -0.146 3.818 3.960 0.006 0.000 0.194 291 G C 0.384 175.425 174.900 0.234 0.000 1.020 291 G CA 0.151 45.297 45.100 0.078 0.000 0.787 291 G HN 0.579 nan 8.290 nan 0.000 0.477 292 W N 0.515 121.824 121.300 0.015 0.000 1.807 292 W HA 0.498 5.158 4.660 0.001 0.000 0.251 292 W C 0.917 177.624 176.519 0.314 0.000 0.848 292 W CA 0.515 57.972 57.345 0.188 0.000 1.157 292 W CB -0.204 29.348 29.460 0.153 0.000 0.992 292 W HN 0.491 nan 8.180 nan 0.000 0.506 293 G N 1.446 109.944 108.800 -0.502 0.000 3.088 293 G HA2 0.047 4.011 3.960 0.006 0.000 0.217 293 G HA3 0.047 4.011 3.960 0.006 0.000 0.217 293 G C 1.249 176.345 174.900 0.327 0.000 1.159 293 G CA 0.821 45.756 45.100 -0.275 0.000 0.760 293 G HN 0.078 nan 8.290 nan 0.000 0.550 294 S N 2.046 117.940 115.700 0.323 0.000 2.389 294 S HA -0.273 4.200 4.470 0.006 0.000 0.229 294 S C 2.707 177.354 174.600 0.077 0.000 1.048 294 S CA 1.559 59.786 58.200 0.045 0.000 1.117 294 S CB -0.772 62.352 63.200 -0.127 0.000 1.020 294 S HN 0.548 nan 8.310 nan 0.000 0.430 295 A N 0.338 123.227 122.820 0.115 0.000 2.019 295 A HA -0.044 4.280 4.320 0.006 0.000 0.219 295 A C 1.947 179.529 177.584 -0.002 0.000 1.164 295 A CA 1.346 53.403 52.037 0.034 0.000 0.644 295 A CB -0.949 18.059 19.000 0.013 0.000 0.805 295 A HN 0.578 nan 8.150 nan 0.000 0.449 296 Y N -0.610 119.701 120.300 0.019 0.000 2.145 296 Y HA -0.182 4.372 4.550 0.007 0.000 0.286 296 Y C 2.649 178.460 175.900 -0.149 0.000 1.145 296 Y CA 1.710 59.741 58.100 -0.115 0.000 1.148 296 Y CB -0.222 38.069 38.460 -0.283 0.000 0.981 296 Y HN 0.125 nan 8.280 nan 0.000 0.507 297 R N -0.220 120.348 120.500 0.114 0.000 2.120 297 R HA -0.126 4.218 4.340 0.006 0.000 0.234 297 R C 2.598 178.974 176.300 0.126 0.000 1.123 297 R CA 1.222 57.393 56.100 0.118 0.000 0.975 297 R CB -1.072 29.330 30.300 0.169 0.000 0.866 297 R HN 0.237 nan 8.270 nan 0.000 0.446 298 S N -0.094 115.659 115.700 0.088 0.000 2.357 298 S HA 0.006 4.480 4.470 0.006 0.000 0.221 298 S C 1.883 176.512 174.600 0.049 0.000 1.031 298 S CA 0.661 58.910 58.200 0.081 0.000 0.982 298 S CB -0.212 63.020 63.200 0.054 0.000 0.853 298 S HN 0.286 nan 8.310 nan 0.000 0.458 299 L N 1.180 122.407 121.223 0.007 0.000 2.013 299 L HA -0.226 4.117 4.340 0.006 0.000 0.212 299 L C 2.802 179.653 176.870 -0.031 0.000 1.073 299 L CA 1.856 56.685 54.840 -0.019 0.000 0.753 299 L CB -0.438 41.589 42.059 -0.053 0.000 0.890 299 L HN 0.466 nan 8.230 nan 0.000 0.432 300 Q N -1.437 118.306 119.800 -0.095 0.000 2.181 300 Q HA -0.209 4.135 4.340 0.006 0.000 0.205 300 Q C 2.022 177.874 176.000 -0.247 0.000 0.980 300 Q CA 2.074 57.693 55.803 -0.306 0.000 0.862 300 Q CB -0.114 28.288 28.738 -0.559 0.000 0.905 300 Q HN 0.503 nan 8.270 nan 0.000 0.429 301 T N 0.813 115.421 114.554 0.089 0.000 2.812 301 T HA -0.060 4.293 4.350 0.006 0.000 0.264 301 T C 1.799 176.656 174.700 0.261 0.000 1.042 301 T CA 0.765 63.059 62.100 0.324 0.000 1.140 301 T CB -0.119 68.949 68.868 0.333 0.000 0.870 301 T HN 0.201 nan 8.240 nan 0.000 0.445 302 I N 0.702 121.374 120.570 0.170 0.000 2.208 302 I HA -0.237 3.936 4.170 0.006 0.000 0.245 302 I C 2.608 178.975 176.117 0.417 0.000 1.097 302 I CA 0.909 62.357 61.300 0.246 0.000 1.363 302 I CB -0.381 37.717 38.000 0.163 0.000 1.051 302 I HN 0.343 nan 8.210 nan 0.000 0.413 303 C N 0.145 119.585 119.300 0.233 0.000 2.440 303 C HA -0.142 4.321 4.460 0.006 0.000 0.278 303 C C 3.361 178.506 174.990 0.258 0.000 1.295 303 C CA 1.400 60.542 59.018 0.208 0.000 1.738 303 C CB -0.997 26.759 27.740 0.028 0.000 1.987 303 C HN 0.671 nan 8.230 nan 0.000 0.492 304 S N -0.589 115.252 115.700 0.234 0.000 2.382 304 S HA -0.270 4.204 4.470 0.006 0.000 0.228 304 S C 1.674 176.521 174.600 0.412 0.000 1.027 304 S CA 1.567 59.936 58.200 0.283 0.000 0.991 304 S CB -0.801 62.627 63.200 0.381 0.000 0.823 304 S HN 0.781 nan 8.310 nan 0.000 0.469 305 W N 1.308 122.780 121.300 0.287 0.000 2.332 305 W HA -0.052 4.612 4.660 0.005 0.000 0.321 305 W C 1.666 178.262 176.519 0.130 0.000 1.219 305 W CA 1.665 59.125 57.345 0.192 0.000 1.277 305 W CB -0.669 28.789 29.460 -0.003 0.000 1.161 305 W HN 0.305 nan 8.180 nan 0.000 0.476 306 F N 1.024 121.327 119.950 0.590 0.000 2.373 306 F HA -0.184 4.347 4.527 0.006 0.000 0.300 306 F C 2.545 178.460 175.800 0.190 0.000 1.080 306 F CA 2.024 60.273 58.000 0.414 0.000 1.417 306 F CB -0.611 38.598 39.000 0.349 0.000 1.070 306 F HN 0.058 nan 8.300 nan 0.000 0.546 307 R N -1.164 119.487 120.500 0.252 0.000 2.146 307 R HA 0.001 4.345 4.340 0.006 0.000 0.206 307 R C 1.814 178.096 176.300 -0.030 0.000 1.049 307 R CA 0.746 56.897 56.100 0.085 0.000 1.029 307 R CB -0.892 29.426 30.300 0.029 0.000 0.949 307 R HN 0.208 nan 8.270 nan 0.000 0.471 308 H N 1.377 120.423 119.070 -0.040 0.000 2.319 308 H HA -0.063 4.496 4.556 0.006 0.000 0.299 308 H C 1.418 176.608 175.328 -0.229 0.000 1.092 308 H CA 1.830 57.807 56.048 -0.119 0.000 1.302 308 H CB 0.106 29.784 29.762 -0.141 0.000 1.373 308 H HN 0.238 nan 8.280 nan 0.000 0.497 309 Q N -0.296 119.335 119.800 -0.281 0.000 2.515 309 Q HA 0.110 4.453 4.340 0.006 0.000 0.212 309 Q C 1.007 176.778 176.000 -0.383 0.000 0.970 309 Q CA 0.587 56.119 55.803 -0.452 0.000 0.941 309 Q CB -0.029 28.194 28.738 -0.857 0.000 0.998 309 Q HN 0.663 nan 8.270 nan 0.000 0.518 310 G N -0.457 108.232 108.800 -0.184 0.000 2.225 310 G HA2 -0.317 3.646 3.960 0.006 0.000 0.264 310 G HA3 -0.317 3.646 3.960 0.006 0.000 0.264 310 G C 0.133 174.941 174.900 -0.154 0.000 1.060 310 G CA 0.369 45.378 45.100 -0.151 0.000 0.833 310 G HN 0.463 nan 8.290 nan 0.000 0.498 311 Y N -0.518 119.804 120.300 0.036 0.000 2.478 311 Y HA 0.437 4.991 4.550 0.006 0.000 0.261 311 Y C 1.745 177.703 175.900 0.098 0.000 1.127 311 Y CA 1.085 59.251 58.100 0.110 0.000 1.288 311 Y CB 1.071 39.703 38.460 0.287 0.000 1.084 311 Y HN 0.393 nan 8.280 nan 0.000 0.530 312 T N -0.488 114.200 114.554 0.224 0.000 2.923 312 T HA 0.161 4.515 4.350 0.006 0.000 0.311 312 T C 0.382 175.121 174.700 0.065 0.000 1.183 312 T CA -0.627 61.549 62.100 0.127 0.000 1.020 312 T CB 1.413 70.353 68.868 0.120 0.000 1.165 312 T HN 0.239 nan 8.240 nan 0.000 0.482 313 E N 2.930 123.152 120.200 0.035 0.000 2.364 313 E HA 0.035 4.389 4.350 0.006 0.000 0.196 313 E C 0.833 177.438 176.600 0.009 0.000 0.990 313 E CA -0.126 56.281 56.400 0.013 0.000 0.886 313 E CB -0.099 29.604 29.700 0.005 0.000 0.866 313 E HN 0.532 nan 8.360 nan 0.000 0.493 314 R N 2.954 123.462 120.500 0.014 0.000 2.585 314 R HA -0.004 4.340 4.340 0.006 0.000 0.275 314 R C 0.136 176.436 176.300 -0.000 0.000 1.018 314 R CA 0.528 56.631 56.100 0.006 0.000 1.072 314 R CB 0.215 30.517 30.300 0.003 0.000 0.953 314 R HN 0.112 nan 8.270 nan 0.000 0.419 315 S N 4.637 120.334 115.700 -0.005 0.000 2.612 315 S HA 0.118 4.592 4.470 0.006 0.000 0.253 315 S C 0.733 175.318 174.600 -0.024 0.000 1.346 315 S CA -0.754 57.439 58.200 -0.012 0.000 0.976 315 S CB 0.324 63.521 63.200 -0.005 0.000 0.949 315 S HN 0.573 nan 8.310 nan 0.000 0.584 316 I N 2.553 123.098 120.570 -0.042 0.000 2.494 316 I HA 0.172 4.346 4.170 0.006 0.000 0.289 316 I C -2.009 174.068 176.117 -0.066 0.000 1.106 316 I CA -1.626 59.623 61.300 -0.084 0.000 1.369 316 I CB -0.254 37.659 38.000 -0.144 0.000 1.410 316 I HN 0.451 nan 8.210 nan 0.000 0.523 317 P HA -0.010 nan 4.420 nan 0.000 0.265 317 P C 0.063 177.344 177.300 -0.033 0.000 1.187 317 P CA 0.112 63.193 63.100 -0.033 0.000 0.766 317 P CB 0.348 32.030 31.700 -0.030 0.000 0.820 318 T N -1.044 113.518 114.554 0.013 0.000 2.902 318 T HA 0.203 4.557 4.350 0.006 0.000 0.280 318 T C 1.090 175.829 174.700 0.065 0.000 0.992 318 T CA -0.147 61.987 62.100 0.056 0.000 1.015 318 T CB 0.380 69.295 68.868 0.078 0.000 1.044 318 T HN 0.312 nan 8.240 nan 0.000 0.520 319 H N 0.182 119.260 119.070 0.013 0.000 2.319 319 H HA -0.057 4.504 4.556 0.008 0.000 0.297 319 H C 2.486 177.844 175.328 0.051 0.000 1.097 319 H CA 2.400 58.445 56.048 -0.004 0.000 1.285 319 H CB -0.134 29.508 29.762 -0.200 0.000 1.368 319 H HN 0.620 nan 8.280 nan 0.000 0.495 320 R N 0.967 121.556 120.500 0.148 0.000 2.081 320 R HA -0.154 4.189 4.340 0.006 0.000 0.235 320 R C 1.923 178.271 176.300 0.080 0.000 1.131 320 R CA 1.684 57.830 56.100 0.076 0.000 0.960 320 R CB -0.017 30.305 30.300 0.037 0.000 0.856 320 R HN 0.474 nan 8.270 nan 0.000 0.436 321 E N 0.184 120.430 120.200 0.076 0.000 2.118 321 E HA -0.221 4.133 4.350 0.006 0.000 0.195 321 E C 1.988 178.636 176.600 0.079 0.000 0.992 321 E CA 1.561 57.998 56.400 0.061 0.000 0.804 321 E CB -0.226 29.498 29.700 0.041 0.000 0.741 321 E HN 0.505 nan 8.360 nan 0.000 0.458 322 I N -0.257 120.384 120.570 0.119 0.000 2.235 322 I HA -0.245 3.929 4.170 0.006 0.000 0.241 322 I C 2.124 178.350 176.117 0.181 0.000 1.085 322 I CA 1.238 62.619 61.300 0.135 0.000 1.378 322 I CB -0.231 37.865 38.000 0.161 0.000 1.076 322 I HN -0.057 nan 8.210 nan 0.000 0.415 323 Q N 0.313 120.265 119.800 0.254 0.000 2.118 323 Q HA -0.361 3.982 4.340 0.006 0.000 0.211 323 Q C 2.354 178.481 176.000 0.212 0.000 0.998 323 Q CA 2.521 58.490 55.803 0.277 0.000 0.872 323 Q CB -0.474 28.325 28.738 0.102 0.000 0.925 323 Q HN 0.631 nan 8.270 nan 0.000 0.414 324 Q N 0.222 120.099 119.800 0.128 0.000 2.124 324 Q HA -0.108 4.236 4.340 0.006 0.000 0.202 324 Q C 1.860 177.904 176.000 0.073 0.000 0.977 324 Q CA 1.679 57.535 55.803 0.088 0.000 0.850 324 Q CB -0.384 28.388 28.738 0.057 0.000 0.901 324 Q HN 0.399 nan 8.270 nan 0.000 0.429 325 A N -0.210 122.652 122.820 0.069 0.000 1.933 325 A HA -0.134 4.190 4.320 0.006 0.000 0.218 325 A C 1.843 179.448 177.584 0.036 0.000 1.175 325 A CA 1.336 53.398 52.037 0.041 0.000 0.628 325 A CB -0.568 18.450 19.000 0.030 0.000 0.814 325 A HN 0.414 nan 8.150 nan 0.000 0.444 326 L N -0.455 120.809 121.223 0.068 0.000 2.027 326 L HA -0.085 4.259 4.340 0.006 0.000 0.206 326 L C 2.652 179.530 176.870 0.013 0.000 1.074 326 L CA 1.374 56.234 54.840 0.035 0.000 0.745 326 L CB -1.060 41.044 42.059 0.075 0.000 0.898 326 L HN 0.214 nan 8.230 nan 0.000 0.433 327 V N -0.159 119.793 119.914 0.063 0.000 2.287 327 V HA -0.307 3.817 4.120 0.006 0.000 0.248 327 V C 2.222 178.327 176.094 0.017 0.000 1.053 327 V CA 1.850 64.175 62.300 0.041 0.000 1.027 327 V CB -0.598 31.269 31.823 0.073 0.000 0.646 327 V HN 0.371 nan 8.190 nan 0.000 0.447 328 D N 0.325 120.738 120.400 0.022 0.000 2.144 328 D HA -0.109 4.534 4.640 0.006 0.000 0.199 328 D C 2.101 178.398 176.300 -0.005 0.000 0.984 328 D CA 1.649 55.654 54.000 0.008 0.000 0.834 328 D CB -0.255 40.551 40.800 0.010 0.000 0.955 328 D HN 0.472 nan 8.370 nan 0.000 0.465 329 A N -0.849 121.965 122.820 -0.011 0.000 2.072 329 A HA 0.390 4.714 4.320 0.006 0.000 0.216 329 A C 1.815 179.380 177.584 -0.031 0.000 1.156 329 A CA 1.447 53.470 52.037 -0.022 0.000 0.701 329 A CB 0.085 19.068 19.000 -0.029 0.000 0.816 329 A HN 0.295 nan 8.150 nan 0.000 0.458 330 G N -1.068 107.712 108.800 -0.034 0.000 2.192 330 G HA2 -0.207 3.756 3.960 0.006 0.000 0.193 330 G HA3 -0.207 3.756 3.960 0.006 0.000 0.193 330 G C 0.400 175.262 174.900 -0.064 0.000 0.999 330 G CA 0.690 45.764 45.100 -0.042 0.000 0.659 330 G HN 0.505 nan 8.290 nan 0.000 0.503 331 D N -0.260 120.090 120.400 -0.083 0.000 2.379 331 D HA 0.248 4.891 4.640 0.006 0.000 0.208 331 D C 0.875 177.059 176.300 -0.192 0.000 1.065 331 D CA 0.617 54.541 54.000 -0.127 0.000 0.848 331 D CB 0.140 40.861 40.800 -0.131 0.000 0.949 331 D HN 0.180 nan 8.370 nan 0.000 0.509 332 K N 0.779 121.080 120.400 -0.165 0.000 2.482 332 K HA 0.404 4.728 4.320 0.006 0.000 0.257 332 K C -2.640 173.904 176.600 -0.093 0.000 0.969 332 K CA -1.957 54.197 56.287 -0.222 0.000 0.842 332 K CB 1.302 33.585 32.500 -0.361 0.000 1.359 332 K HN -0.087 nan 8.250 nan 0.000 0.441 333 P HA 0.099 nan 4.420 nan 0.000 0.271 333 P C 0.321 177.654 177.300 0.055 0.000 1.218 333 P CA -0.098 62.997 63.100 -0.008 0.000 0.780 333 P CB 0.664 32.360 31.700 -0.006 0.000 0.901 334 A N 3.069 125.914 122.820 0.043 0.000 2.042 334 A HA -0.177 4.147 4.320 0.006 0.000 0.222 334 A C 1.706 179.332 177.584 0.071 0.000 1.167 334 A CA 2.250 54.319 52.037 0.055 0.000 0.649 334 A CB -1.713 17.303 19.000 0.026 0.000 0.809 334 A HN 0.652 nan 8.150 nan 0.000 0.457 335 T N -1.787 112.809 114.554 0.069 0.000 3.160 335 T HA 0.051 4.405 4.350 0.006 0.000 0.257 335 T C 1.234 175.990 174.700 0.093 0.000 1.147 335 T CA 0.614 62.744 62.100 0.051 0.000 1.064 335 T CB -0.297 68.590 68.868 0.032 0.000 0.949 335 T HN 0.406 nan 8.240 nan 0.000 0.526 336 F N 2.905 122.830 119.950 -0.043 0.000 2.206 336 F HA 0.137 4.669 4.527 0.007 0.000 0.298 336 F C 1.178 176.956 175.800 -0.036 0.000 1.090 336 F CA -0.167 57.806 58.000 -0.045 0.000 1.323 336 F CB -0.265 38.715 39.000 -0.033 0.000 1.028 336 F HN 0.071 nan 8.300 nan 0.000 0.492 337 V N 0.787 120.677 119.914 -0.039 0.000 2.479 337 V HA 0.510 4.634 4.120 0.006 0.000 0.281 337 V C 0.720 176.726 176.094 -0.148 0.000 1.031 337 V CA 0.706 62.937 62.300 -0.115 0.000 1.038 337 V CB 0.246 32.059 31.823 -0.016 0.000 0.981 337 V HN 0.735 nan 8.190 nan 0.000 0.478 338 G N 3.695 112.367 108.800 -0.212 0.000 2.278 338 G HA2 -0.203 3.760 3.960 0.006 0.000 0.210 338 G HA3 -0.203 3.760 3.960 0.006 0.000 0.210 338 G C 0.488 175.197 174.900 -0.319 0.000 1.000 338 G CA 0.417 45.393 45.100 -0.206 0.000 0.635 338 G HN 1.946 nan 8.290 nan 0.000 0.495 339 S N 0.009 115.457 115.700 -0.419 0.000 2.589 339 S HA 0.570 5.043 4.470 0.006 0.000 0.265 339 S C 0.758 174.878 174.600 -0.799 0.000 1.342 339 S CA 0.216 58.110 58.200 -0.509 0.000 1.005 339 S CB 1.223 64.124 63.200 -0.499 0.000 0.909 339 S HN 0.400 nan 8.310 nan 0.000 0.555 340 R N 0.749 120.717 120.500 -0.888 0.000 2.694 340 R HA 0.182 4.526 4.340 0.006 0.000 0.334 340 R C -0.121 175.646 176.300 -0.887 0.000 1.143 340 R CA -0.224 54.874 56.100 -1.669 0.000 1.073 340 R CB 0.196 29.617 30.300 -1.464 0.000 1.366 340 R HN 0.658 nan 8.270 nan 0.000 0.577 341 Q N 1.621 121.179 119.800 -0.404 0.000 2.304 341 Q HA 0.009 4.352 4.340 0.006 0.000 0.260 341 Q C 0.115 176.401 176.000 0.476 0.000 0.965 341 Q CA 0.030 55.868 55.803 0.058 0.000 0.898 341 Q CB 0.936 29.795 28.738 0.200 0.000 1.196 341 Q HN 0.286 nan 8.270 nan 0.000 0.402 342 W N 4.913 126.503 121.300 0.484 0.000 2.112 342 W HA 0.304 4.966 4.660 0.005 0.000 0.349 342 W C -0.370 176.346 176.519 0.328 0.000 1.289 342 W CA -0.498 57.145 57.345 0.496 0.000 1.256 342 W CB 0.125 29.782 29.460 0.328 0.000 1.148 342 W HN 0.418 nan 8.180 nan 0.000 0.590 343 I N 0.211 120.953 120.570 0.286 0.000 3.067 343 I HA 0.929 5.103 4.170 0.006 0.000 0.312 343 I C -0.158 176.116 176.117 0.263 0.000 1.073 343 I CA -1.127 60.181 61.300 0.015 0.000 1.016 343 I CB 0.970 38.885 38.000 -0.141 0.000 1.227 343 I HN 0.609 nan 8.210 nan 0.000 0.456 344 G N 0.994 109.877 108.800 0.139 0.000 2.816 344 G HA2 0.450 4.414 3.960 0.006 0.000 0.288 344 G HA3 0.450 4.414 3.960 0.006 0.000 0.288 344 G C 0.282 175.211 174.900 0.049 0.000 1.334 344 G CA -0.036 45.201 45.100 0.228 0.000 0.978 344 G HN 0.719 nan 8.290 nan 0.000 0.493 345 S N -0.211 115.505 115.700 0.027 0.000 2.400 345 S HA -0.190 4.284 4.470 0.006 0.000 0.234 345 S C 2.230 176.780 174.600 -0.083 0.000 1.049 345 S CA 1.009 59.182 58.200 -0.046 0.000 1.039 345 S CB -0.213 62.940 63.200 -0.077 0.000 0.856 345 S HN 0.431 nan 8.310 nan 0.000 0.465 346 I N 1.573 122.089 120.570 -0.089 0.000 2.315 346 I HA -0.129 4.045 4.170 0.006 0.000 0.248 346 I C 2.326 178.387 176.117 -0.092 0.000 1.117 346 I CA 1.431 62.667 61.300 -0.107 0.000 1.404 346 I CB -1.066 36.865 38.000 -0.115 0.000 1.071 346 I HN 0.315 nan 8.210 nan 0.000 0.419 347 E N 0.208 120.355 120.200 -0.088 0.000 2.046 347 E HA -0.121 4.232 4.350 0.006 0.000 0.190 347 E C 2.306 178.854 176.600 -0.087 0.000 0.982 347 E CA 0.806 57.150 56.400 -0.093 0.000 0.800 347 E CB -0.317 29.319 29.700 -0.106 0.000 0.756 347 E HN 0.141 nan 8.360 nan 0.000 0.449 348 V N 1.441 121.301 119.914 -0.089 0.000 2.250 348 V HA -0.378 3.745 4.120 0.006 0.000 0.250 348 V C 2.553 178.595 176.094 -0.086 0.000 1.060 348 V CA 2.344 64.591 62.300 -0.089 0.000 1.030 348 V CB -0.639 31.138 31.823 -0.076 0.000 0.643 348 V HN 0.367 nan 8.190 nan 0.000 0.445 349 Q N -0.871 118.877 119.800 -0.087 0.000 2.062 349 Q HA -0.321 4.023 4.340 0.006 0.000 0.209 349 Q C 2.292 178.241 176.000 -0.085 0.000 0.996 349 Q CA 2.762 58.511 55.803 -0.090 0.000 0.859 349 Q CB -0.224 28.462 28.738 -0.087 0.000 0.920 349 Q HN 0.626 nan 8.270 nan 0.000 0.415 350 M N -0.446 119.108 119.600 -0.077 0.000 2.149 350 M HA -0.180 4.304 4.480 0.006 0.000 0.261 350 M C 1.987 178.249 176.300 -0.063 0.000 1.064 350 M CA 1.218 56.477 55.300 -0.067 0.000 1.102 350 M CB 0.133 32.693 32.600 -0.066 0.000 1.369 350 M HN 0.142 nan 8.290 nan 0.000 0.408 351 V N -0.069 119.807 119.914 -0.063 0.000 2.270 351 V HA -0.260 3.864 4.120 0.006 0.000 0.245 351 V C 2.199 178.248 176.094 -0.076 0.000 1.043 351 V CA 1.184 63.451 62.300 -0.054 0.000 1.014 351 V CB -0.746 31.051 31.823 -0.044 0.000 0.645 351 V HN 0.388 nan 8.190 nan 0.000 0.447 352 L N 0.790 121.952 121.223 -0.101 0.000 2.129 352 L HA -0.208 4.135 4.340 0.006 0.000 0.212 352 L C 2.148 178.925 176.870 -0.156 0.000 1.087 352 L CA 2.104 56.854 54.840 -0.150 0.000 0.757 352 L CB -1.550 40.403 42.059 -0.176 0.000 0.896 352 L HN 0.477 nan 8.230 nan 0.000 0.434 353 N N -1.996 116.634 118.700 -0.117 0.000 2.333 353 N HA -0.124 4.619 4.740 0.006 0.000 0.178 353 N C 1.785 177.250 175.510 -0.074 0.000 1.018 353 N CA 0.460 53.451 53.050 -0.099 0.000 0.882 353 N CB 0.171 38.611 38.487 -0.079 0.000 0.984 353 N HN 0.177 nan 8.380 nan 0.000 0.434 354 Q N 0.485 120.248 119.800 -0.062 0.000 1.917 354 Q HA -0.028 4.316 4.340 0.006 0.000 0.205 354 Q C 2.008 177.982 176.000 -0.042 0.000 0.988 354 Q CA 1.429 57.207 55.803 -0.042 0.000 0.851 354 Q CB -0.655 28.066 28.738 -0.029 0.000 0.916 354 Q HN 0.419 nan 8.270 nan 0.000 0.424 355 L N 0.291 121.486 121.223 -0.046 0.000 2.313 355 L HA 0.047 4.390 4.340 0.006 0.000 0.214 355 L C 1.801 178.644 176.870 -0.046 0.000 1.119 355 L CA 0.548 55.366 54.840 -0.037 0.000 0.809 355 L CB -0.051 41.990 42.059 -0.030 0.000 0.933 355 L HN 0.258 nan 8.230 nan 0.000 0.449 356 I N -4.686 115.838 120.570 -0.077 0.000 3.597 356 I HA 0.500 4.674 4.170 0.006 0.000 0.323 356 I C 0.920 176.970 176.117 -0.111 0.000 1.535 356 I CA -0.258 60.990 61.300 -0.087 0.000 1.028 356 I CB 0.354 38.291 38.000 -0.105 0.000 1.354 356 I HN 0.052 nan 8.210 nan 0.000 0.544 357 G N 1.825 110.572 108.800 -0.089 0.000 2.296 357 G HA2 -0.225 3.738 3.960 0.006 0.000 0.282 357 G HA3 -0.225 3.738 3.960 0.006 0.000 0.282 357 G C 0.090 174.922 174.900 -0.114 0.000 1.014 357 G CA 0.570 45.625 45.100 -0.075 0.000 0.812 357 G HN 0.409 nan 8.290 nan 0.000 0.508 358 V N 0.149 119.946 119.914 -0.195 0.000 2.481 358 V HA 0.614 4.737 4.120 0.006 0.000 0.286 358 V C 0.750 176.739 176.094 -0.174 0.000 1.042 358 V CA -0.080 62.063 62.300 -0.262 0.000 0.928 358 V CB 1.897 33.392 31.823 -0.547 0.000 0.986 358 V HN 0.264 nan 8.190 nan 0.000 0.462 359 T N 4.192 118.670 114.554 -0.126 0.000 2.767 359 T HA 0.546 4.900 4.350 0.006 0.000 0.284 359 T C -0.179 174.476 174.700 -0.074 0.000 0.973 359 T CA -0.361 61.690 62.100 -0.081 0.000 0.996 359 T CB 0.992 69.833 68.868 -0.046 0.000 0.927 359 T HN 0.840 nan 8.240 nan 0.000 0.456 360 S N 3.234 118.892 115.700 -0.070 0.000 2.599 360 S HA 0.729 5.203 4.470 0.006 0.000 0.294 360 S C -0.910 173.661 174.600 -0.048 0.000 1.094 360 S CA -1.296 56.868 58.200 -0.061 0.000 0.931 360 S CB 1.787 64.938 63.200 -0.081 0.000 1.093 360 S HN 0.707 nan 8.310 nan 0.000 0.488 361 K N 0.604 120.975 120.400 -0.048 0.000 2.203 361 K HA 0.580 4.903 4.320 0.006 0.000 0.251 361 K C -1.200 175.369 176.600 -0.052 0.000 0.944 361 K CA -0.813 55.455 56.287 -0.032 0.000 0.829 361 K CB 1.042 33.535 32.500 -0.012 0.000 1.125 361 K HN 0.444 nan 8.250 nan 0.000 0.430 362 I N 2.802 123.363 120.570 -0.014 0.000 2.359 362 I HA 0.277 4.451 4.170 0.006 0.000 0.294 362 I C -0.060 176.076 176.117 0.031 0.000 0.987 362 I CA -0.962 60.307 61.300 -0.052 0.000 1.225 362 I CB 1.284 39.213 38.000 -0.119 0.000 1.366 362 I HN 0.600 nan 8.210 nan 0.000 0.466 363 L N 6.697 127.898 121.223 -0.038 0.000 2.277 363 L HA 0.389 4.733 4.340 0.006 0.000 0.284 363 L C -0.803 176.077 176.870 0.017 0.000 1.028 363 L CA -0.669 54.191 54.840 0.033 0.000 0.835 363 L CB 0.532 42.568 42.059 -0.037 0.000 1.215 363 L HN 0.299 nan 8.230 nan 0.000 0.425 364 F N 4.386 124.292 119.950 -0.073 0.000 2.541 364 F HA 0.186 4.717 4.527 0.007 0.000 0.378 364 F C 0.411 176.174 175.800 -0.062 0.000 1.068 364 F CA 0.110 58.063 58.000 -0.078 0.000 1.199 364 F CB 0.801 39.749 39.000 -0.087 0.000 1.091 364 F HN 0.049 nan 8.300 nan 0.000 0.555 365 V N 4.386 124.350 119.914 0.084 0.000 2.638 365 V HA 0.188 4.311 4.120 0.006 0.000 0.306 365 V C 0.438 176.604 176.094 0.121 0.000 1.052 365 V CA -0.792 61.549 62.300 0.069 0.000 0.885 365 V CB 1.961 33.776 31.823 -0.014 0.000 0.999 365 V HN 0.740 nan 8.190 nan 0.000 0.424 366 N N 2.628 121.391 118.700 0.105 0.000 2.250 366 N HA 0.014 4.758 4.740 0.006 0.000 0.181 366 N C 0.512 176.130 175.510 0.179 0.000 1.017 366 N CA 0.956 54.085 53.050 0.131 0.000 0.866 366 N CB 0.357 38.895 38.487 0.085 0.000 0.985 366 N HN 0.748 nan 8.380 nan 0.000 0.429 367 Q N -1.975 117.910 119.800 0.143 0.000 2.391 367 Q HA 0.283 4.626 4.340 0.006 0.000 0.279 367 Q C 0.431 176.496 176.000 0.108 0.000 1.028 367 Q CA -0.491 55.398 55.803 0.142 0.000 0.836 367 Q CB 1.374 30.172 28.738 0.100 0.000 1.414 367 Q HN 0.198 nan 8.270 nan 0.000 0.397 368 G N 1.179 110.075 108.800 0.160 0.000 2.513 368 G HA2 -0.289 3.675 3.960 0.006 0.000 0.219 368 G HA3 -0.289 3.675 3.960 0.006 0.000 0.219 368 G C 1.018 175.955 174.900 0.063 0.000 1.160 368 G CA 1.398 46.554 45.100 0.093 0.000 0.767 368 G HN 0.620 nan 8.290 nan 0.000 0.571 369 S N 0.469 116.228 115.700 0.097 0.000 2.419 369 S HA -0.046 4.428 4.470 0.006 0.000 0.235 369 S C 1.784 176.439 174.600 0.092 0.000 1.019 369 S CA 0.862 59.125 58.200 0.106 0.000 0.982 369 S CB -0.058 63.194 63.200 0.087 0.000 0.789 369 S HN 0.416 nan 8.310 nan 0.000 0.490 370 E N 0.336 120.567 120.200 0.052 0.000 2.445 370 E HA 0.172 4.526 4.350 0.006 0.000 0.189 370 E C 1.008 177.607 176.600 -0.002 0.000 1.069 370 E CA -0.042 56.381 56.400 0.038 0.000 0.871 370 E CB 0.056 29.777 29.700 0.035 0.000 0.991 370 E HN 0.408 nan 8.360 nan 0.000 0.481 371 M N -0.257 119.323 119.600 -0.034 0.000 2.334 371 M HA 0.029 4.512 4.480 0.006 0.000 0.266 371 M C 2.217 178.635 176.300 0.196 0.000 1.082 371 M CA 0.502 55.745 55.300 -0.095 0.000 1.141 371 M CB -0.929 31.355 32.600 -0.527 0.000 1.380 371 M HN 0.061 nan 8.290 nan 0.000 0.440 372 A N 0.454 123.432 122.820 0.264 0.000 2.009 372 A HA -0.172 4.152 4.320 0.006 0.000 0.222 372 A C 2.049 179.730 177.584 0.163 0.000 1.175 372 A CA 2.289 54.484 52.037 0.263 0.000 0.651 372 A CB -0.929 18.195 19.000 0.207 0.000 0.815 372 A HN 0.601 nan 8.150 nan 0.000 0.459 373 S N -1.915 113.849 115.700 0.107 0.000 2.573 373 S HA 0.255 4.728 4.470 0.006 0.000 0.244 373 S C 0.837 175.429 174.600 -0.014 0.000 0.984 373 S CA -0.200 58.042 58.200 0.071 0.000 1.001 373 S CB 0.309 63.556 63.200 0.079 0.000 0.788 373 S HN 0.504 nan 8.310 nan 0.000 0.456 374 Q N 0.275 120.043 119.800 -0.054 0.000 2.246 374 Q HA 0.271 4.615 4.340 0.006 0.000 0.222 374 Q C 1.920 177.751 176.000 -0.282 0.000 0.851 374 Q CA 0.640 56.377 55.803 -0.110 0.000 0.945 374 Q CB 0.036 28.752 28.738 -0.036 0.000 1.122 374 Q HN 0.664 nan 8.270 nan 0.000 0.508 375 G N 1.919 110.396 108.800 -0.540 0.000 2.503 375 G HA2 -0.355 3.609 3.960 0.006 0.000 0.221 375 G HA3 -0.355 3.609 3.960 0.006 0.000 0.221 375 G C 1.597 175.763 174.900 -1.224 0.000 1.131 375 G CA 1.315 45.813 45.100 -1.004 0.000 0.756 375 G HN 0.258 nan 8.290 nan 0.000 0.572 376 R N 0.893 120.519 120.500 -1.457 0.000 2.091 376 R HA -0.085 4.259 4.340 0.006 0.000 0.238 376 R C 2.282 178.424 176.300 -0.264 0.000 1.136 376 R CA 2.083 57.706 56.100 -0.796 0.000 0.959 376 R CB -0.740 29.358 30.300 -0.336 0.000 0.856 376 R HN 0.416 nan 8.270 nan 0.000 0.437 377 E N -0.217 119.857 120.200 -0.209 0.000 2.046 377 E HA -0.039 4.315 4.350 0.006 0.000 0.190 377 E C 1.936 178.546 176.600 0.016 0.000 0.982 377 E CA 1.342 57.703 56.400 -0.066 0.000 0.800 377 E CB -0.182 29.480 29.700 -0.063 0.000 0.756 377 E HN 0.332 nan 8.360 nan 0.000 0.449 378 L N 0.203 121.441 121.223 0.025 0.000 1.970 378 L HA -0.236 4.108 4.340 0.006 0.000 0.212 378 L C 2.554 179.641 176.870 0.362 0.000 1.071 378 L CA 1.357 56.340 54.840 0.238 0.000 0.751 378 L CB -1.065 41.135 42.059 0.236 0.000 0.889 378 L HN 0.260 nan 8.230 nan 0.000 0.432 379 A N 0.720 123.643 122.820 0.173 0.000 1.894 379 A HA -0.306 4.018 4.320 0.006 0.000 0.220 379 A C 1.764 179.470 177.584 0.202 0.000 1.237 379 A CA 2.740 54.898 52.037 0.202 0.000 0.660 379 A CB -0.977 18.138 19.000 0.190 0.000 0.835 379 A HN 0.526 nan 8.150 nan 0.000 0.461 380 N N -1.862 116.919 118.700 0.136 0.000 2.434 380 N HA 0.118 4.861 4.740 0.006 0.000 0.196 380 N C 0.918 176.482 175.510 0.091 0.000 1.183 380 N CA 0.958 54.072 53.050 0.107 0.000 0.849 380 N CB -0.048 38.490 38.487 0.086 0.000 0.992 380 N HN 0.852 nan 8.380 nan 0.000 0.460 381 H N -1.611 117.465 119.070 0.011 0.000 2.545 381 H HA 0.245 4.805 4.556 0.006 0.000 0.283 381 H C 1.127 176.344 175.328 -0.186 0.000 0.997 381 H CA 0.612 56.586 56.048 -0.124 0.000 1.269 381 H CB -0.031 29.591 29.762 -0.233 0.000 1.451 381 H HN 0.047 nan 8.280 nan 0.000 0.508 382 F N 0.704 120.625 119.950 -0.049 0.000 2.293 382 F HA -0.052 4.479 4.527 0.006 0.000 0.297 382 F C 2.286 178.040 175.800 -0.076 0.000 1.089 382 F CA 0.641 58.583 58.000 -0.098 0.000 1.377 382 F CB 0.112 39.129 39.000 0.027 0.000 1.051 382 F HN 0.207 nan 8.300 nan 0.000 0.511 383 Q N 0.159 120.039 119.800 0.134 0.000 2.123 383 Q HA -0.063 4.281 4.340 0.006 0.000 0.199 383 Q C 1.078 177.102 176.000 0.039 0.000 0.966 383 Q CA 1.204 57.066 55.803 0.099 0.000 0.845 383 Q CB -0.376 28.426 28.738 0.107 0.000 0.907 383 Q HN 0.513 nan 8.270 nan 0.000 0.439 384 N N -0.775 117.911 118.700 -0.023 0.000 2.177 384 N HA 0.091 4.834 4.740 0.006 0.000 0.218 384 N C 0.955 176.405 175.510 -0.100 0.000 1.182 384 N CA 0.259 53.290 53.050 -0.031 0.000 0.882 384 N CB 1.606 40.089 38.487 -0.006 0.000 1.052 384 N HN 0.014 nan 8.380 nan 0.000 0.519 385 V N -1.563 118.204 119.914 -0.245 0.000 3.570 385 V HA 0.356 4.479 4.120 0.006 0.000 0.193 385 V C 1.470 177.326 176.094 -0.398 0.000 1.386 385 V CA 0.471 62.558 62.300 -0.355 0.000 1.285 385 V CB -0.335 31.130 31.823 -0.596 0.000 1.237 385 V HN 0.168 nan 8.190 nan 0.000 0.553 386 G N 2.171 110.598 108.800 -0.622 0.000 2.162 386 G HA2 -0.267 3.697 3.960 0.006 0.000 0.260 386 G HA3 -0.267 3.697 3.960 0.006 0.000 0.260 386 G C 0.460 175.075 174.900 -0.474 0.000 0.976 386 G CA 0.957 45.852 45.100 -0.342 0.000 0.655 386 G HN 1.091 nan 8.290 nan 0.000 0.533 387 T N -0.146 113.863 114.554 -0.908 0.000 2.898 387 T HA 0.581 4.935 4.350 0.006 0.000 0.301 387 T C -1.895 172.348 174.700 -0.761 0.000 1.049 387 T CA -0.918 60.359 62.100 -1.372 0.000 1.095 387 T CB 2.136 70.240 68.868 -1.273 0.000 0.976 387 T HN 0.194 nan 8.240 nan 0.000 0.539 388 P HA 0.389 nan 4.420 nan 0.000 0.278 388 P C -0.855 176.297 177.300 -0.246 0.000 1.238 388 P CA -0.591 62.303 63.100 -0.343 0.000 0.794 388 P CB 0.851 32.329 31.700 -0.369 0.000 0.955 389 V N 3.807 123.632 119.914 -0.149 0.000 2.483 389 V HA 0.416 4.540 4.120 0.006 0.000 0.295 389 V C 0.464 176.523 176.094 -0.058 0.000 1.035 389 V CA -0.630 61.574 62.300 -0.160 0.000 0.896 389 V CB 1.304 32.992 31.823 -0.224 0.000 0.986 389 V HN 0.603 nan 8.190 nan 0.000 0.447 390 M N 6.829 126.393 119.600 -0.060 0.000 2.180 390 M HA 0.705 5.189 4.480 0.006 0.000 0.350 390 M C -0.679 175.629 176.300 0.012 0.000 1.125 390 M CA -0.405 54.895 55.300 0.001 0.000 1.031 390 M CB 1.418 34.014 32.600 -0.006 0.000 1.623 390 M HN 0.377 nan 8.290 nan 0.000 0.451 391 V N 1.944 121.913 119.914 0.091 0.000 2.350 391 V HA 0.937 5.061 4.120 0.006 0.000 0.276 391 V C 0.273 176.449 176.094 0.136 0.000 1.028 391 V CA -0.476 61.883 62.300 0.097 0.000 0.860 391 V CB 0.394 32.283 31.823 0.110 0.000 0.990 391 V HN 1.070 nan 8.190 nan 0.000 0.453 392 G N 3.240 112.080 108.800 0.068 0.000 2.356 392 G HA2 0.589 4.552 3.960 0.006 0.000 0.312 392 G HA3 0.589 4.552 3.960 0.006 0.000 0.312 392 G C 0.106 174.957 174.900 -0.082 0.000 1.096 392 G CA -0.178 44.940 45.100 0.029 0.000 0.950 392 G HN 1.391 nan 8.290 nan 0.000 0.428 393 G N 0.932 109.578 108.800 -0.257 0.000 2.814 393 G HA2 0.637 4.600 3.960 0.006 0.000 0.300 393 G HA3 0.637 4.600 3.960 0.006 0.000 0.300 393 G C 0.643 175.151 174.900 -0.653 0.000 1.406 393 G CA 0.438 44.996 45.100 -0.903 0.000 1.041 393 G HN 1.575 nan 8.290 nan 0.000 0.532 394 G N 1.158 109.562 108.800 -0.660 0.000 2.561 394 G HA2 -0.260 3.704 3.960 0.006 0.000 0.289 394 G HA3 -0.260 3.704 3.960 0.006 0.000 0.289 394 G C 1.142 175.610 174.900 -0.718 0.000 1.169 394 G CA 0.441 45.186 45.100 -0.592 0.000 0.980 394 G HN 1.274 nan 8.290 nan 0.000 0.550 395 V N 1.483 120.932 119.914 -0.775 0.000 3.461 395 V HA 0.315 4.439 4.120 0.006 0.000 0.267 395 V C 1.225 176.927 176.094 -0.654 0.000 1.186 395 V CA 1.336 62.914 62.300 -1.203 0.000 1.154 395 V CB -0.498 30.819 31.823 -0.843 0.000 0.802 395 V HN 0.385 nan 8.190 nan 0.000 0.474 396 L N -0.037 120.977 121.223 -0.349 0.000 2.331 396 L HA 0.807 5.151 4.340 0.006 0.000 0.275 396 L C -0.189 176.655 176.870 -0.042 0.000 1.022 396 L CA -0.328 54.454 54.840 -0.096 0.000 0.812 396 L CB 1.691 43.740 42.059 -0.015 0.000 1.257 396 L HN 0.065 nan 8.230 nan 0.000 0.435 397 A N 0.951 123.748 122.820 -0.040 0.000 2.435 397 A HA 0.830 5.154 4.320 0.006 0.000 0.304 397 A C -1.454 176.009 177.584 -0.201 0.000 1.064 397 A CA -0.436 51.595 52.037 -0.010 0.000 0.727 397 A CB 1.201 20.218 19.000 0.029 0.000 1.284 397 A HN 0.825 nan 8.150 nan 0.000 0.415 398 H N -0.674 118.540 119.070 0.239 0.000 2.908 398 H HA 0.734 5.294 4.556 0.006 0.000 0.350 398 H C -0.659 174.764 175.328 0.157 0.000 1.217 398 H CA -0.426 55.775 56.048 0.254 0.000 1.168 398 H CB 2.002 32.001 29.762 0.394 0.000 1.891 398 H HN 0.538 nan 8.280 nan 0.000 0.566 399 T N 1.491 116.185 114.554 0.233 0.000 2.792 399 T HA 0.438 4.791 4.350 0.006 0.000 0.280 399 T C -0.600 174.127 174.700 0.046 0.000 0.990 399 T CA -0.547 61.607 62.100 0.089 0.000 0.960 399 T CB 0.888 69.759 68.868 0.005 0.000 0.939 399 T HN 0.404 nan 8.240 nan 0.000 0.439 400 I N 3.530 124.130 120.570 0.050 0.000 2.378 400 I HA 0.448 4.622 4.170 0.006 0.000 0.291 400 I C -0.524 175.612 176.117 0.031 0.000 0.992 400 I CA -0.813 60.510 61.300 0.038 0.000 1.154 400 I CB 0.758 38.856 38.000 0.164 0.000 1.315 400 I HN 0.668 nan 8.210 nan 0.000 0.448 401 L N 8.177 129.294 121.223 -0.177 0.000 3.141 401 L HA 0.744 5.087 4.340 0.006 0.000 0.267 401 L C 0.436 176.967 176.870 -0.565 0.000 1.281 401 L CA -0.085 54.600 54.840 -0.258 0.000 1.037 401 L CB -0.462 41.318 42.059 -0.465 0.000 1.407 401 L HN 0.917 nan 8.230 nan 0.000 0.566 402 G N -0.439 107.808 108.800 -0.921 0.000 2.339 402 G HA2 0.182 4.146 3.960 0.006 0.000 0.381 402 G HA3 0.182 4.146 3.960 0.006 0.000 0.381 402 G C -2.071 172.467 174.900 -0.603 0.000 1.400 402 G CA -0.408 43.848 45.100 -1.407 0.000 1.002 402 G HN -0.158 nan 8.290 nan 0.000 0.633 403 V N 0.188 119.906 119.914 -0.326 0.000 2.638 403 V HA 0.840 4.963 4.120 0.006 0.000 0.306 403 V C 0.430 176.607 176.094 0.139 0.000 1.052 403 V CA 0.231 62.536 62.300 0.008 0.000 0.885 403 V CB 1.345 33.131 31.823 -0.062 0.000 0.999 403 V HN 2.432 nan 8.190 nan 0.000 0.424 404 A N 6.634 129.514 122.820 0.101 0.000 2.309 404 A HA 0.675 4.998 4.320 0.006 0.000 0.290 404 A C -1.209 176.392 177.584 0.028 0.000 1.206 404 A CA -0.269 51.703 52.037 -0.109 0.000 0.850 404 A CB 0.215 18.973 19.000 -0.403 0.000 1.118 404 A HN 1.106 nan 8.150 nan 0.000 0.523 405 W N 3.065 124.279 121.300 -0.142 0.000 2.957 405 W HA 0.492 5.156 4.660 0.006 0.000 0.336 405 W C -1.147 175.319 176.519 -0.087 0.000 1.087 405 W CA -1.108 56.172 57.345 -0.110 0.000 1.235 405 W CB 1.634 31.057 29.460 -0.062 0.000 1.399 405 W HN 0.581 nan 8.180 nan 0.000 0.480 406 N N 4.211 122.701 118.700 -0.349 0.000 2.626 406 N HA 0.070 4.813 4.740 0.006 0.000 0.242 406 N C 0.804 175.808 175.510 -0.843 0.000 1.005 406 N CA -0.007 52.744 53.050 -0.499 0.000 0.905 406 N CB 0.981 39.314 38.487 -0.256 0.000 1.128 406 N HN 0.768 nan 8.380 nan 0.000 0.512 407 E N 1.341 120.790 120.200 -1.250 0.000 2.114 407 E HA -0.251 4.103 4.350 0.006 0.000 0.199 407 E C 1.207 177.495 176.600 -0.520 0.000 1.008 407 E CA 2.280 57.898 56.400 -1.302 0.000 0.810 407 E CB 0.319 29.352 29.700 -1.112 0.000 0.739 407 E HN 0.749 nan 8.360 nan 0.000 0.456 408 T N -2.971 111.371 114.554 -0.353 0.000 2.814 408 T HA -0.082 4.272 4.350 0.006 0.000 0.254 408 T C 2.124 176.740 174.700 -0.140 0.000 1.037 408 T CA 1.514 63.501 62.100 -0.188 0.000 1.143 408 T CB -0.817 67.968 68.868 -0.138 0.000 0.866 408 T HN 0.037 nan 8.240 nan 0.000 0.431 409 T N 0.406 114.868 114.554 -0.154 0.000 2.848 409 T HA 0.062 4.416 4.350 0.006 0.000 0.269 409 T C 1.711 176.374 174.700 -0.060 0.000 1.081 409 T CA 2.212 64.252 62.100 -0.100 0.000 1.125 409 T CB -1.289 67.515 68.868 -0.107 0.000 0.848 409 T HN 1.022 nan 8.240 nan 0.000 0.503 410 G N 0.034 108.794 108.800 -0.066 0.000 2.320 410 G HA2 -0.272 3.692 3.960 0.006 0.000 0.242 410 G HA3 -0.272 3.692 3.960 0.006 0.000 0.242 410 G C 0.112 175.081 174.900 0.114 0.000 1.033 410 G CA 0.316 45.443 45.100 0.044 0.000 0.620 410 G HN 0.591 nan 8.290 nan 0.000 0.517 411 Q N 0.172 119.998 119.800 0.043 0.000 2.386 411 Q HA 0.597 4.940 4.340 0.006 0.000 0.282 411 Q C 0.034 176.117 176.000 0.138 0.000 1.050 411 Q CA 0.796 56.632 55.803 0.056 0.000 0.918 411 Q CB 1.275 30.005 28.738 -0.013 0.000 1.266 411 Q HN 0.621 nan 8.270 nan 0.000 0.423 412 I N 0.938 121.548 120.570 0.065 0.000 2.722 412 I HA 0.471 4.644 4.170 0.006 0.000 0.295 412 I C -1.552 174.405 176.117 -0.267 0.000 1.161 412 I CA -0.680 60.593 61.300 -0.045 0.000 1.032 412 I CB 1.863 39.812 38.000 -0.085 0.000 1.244 412 I HN 0.439 nan 8.210 nan 0.000 0.421 413 K N 4.750 124.905 120.400 -0.409 0.000 2.477 413 K HA 0.673 4.996 4.320 0.006 0.000 0.255 413 K C -1.983 174.449 176.600 -0.280 0.000 0.952 413 K CA -0.306 55.799 56.287 -0.303 0.000 0.826 413 K CB 1.763 34.169 32.500 -0.157 0.000 1.331 413 K HN 0.357 nan 8.250 nan 0.000 0.437 414 F N 2.466 122.578 119.950 0.270 0.000 2.518 414 F HA 0.420 4.951 4.527 0.006 0.000 0.323 414 F C -0.878 174.780 175.800 -0.236 0.000 1.129 414 F CA -0.875 57.146 58.000 0.036 0.000 0.920 414 F CB 1.468 40.387 39.000 -0.136 0.000 1.160 414 F HN 0.203 nan 8.300 nan 0.000 0.440 415 L N 6.555 127.428 121.223 -0.585 0.000 2.268 415 L HA 0.634 4.978 4.340 0.006 0.000 0.289 415 L C -0.589 175.948 176.870 -0.555 0.000 1.064 415 L CA -0.434 53.753 54.840 -1.090 0.000 0.824 415 L CB -0.010 40.988 42.059 -1.768 0.000 1.202 415 L HN 0.487 nan 8.230 nan 0.000 0.433 416 I N 2.949 123.232 120.570 -0.478 0.000 2.530 416 I HA 0.630 4.804 4.170 0.006 0.000 0.297 416 I C -1.319 174.651 176.117 -0.244 0.000 1.011 416 I CA -0.855 60.252 61.300 -0.321 0.000 1.107 416 I CB 1.875 39.629 38.000 -0.410 0.000 1.285 416 I HN 0.514 nan 8.210 nan 0.000 0.436 417 L N 4.734 125.870 121.223 -0.144 0.000 2.296 417 L HA 0.587 4.931 4.340 0.006 0.000 0.286 417 L C -1.077 175.831 176.870 0.064 0.000 1.023 417 L CA 0.130 54.873 54.840 -0.161 0.000 0.812 417 L CB 1.175 43.069 42.059 -0.276 0.000 1.223 417 L HN 0.730 nan 8.230 nan 0.000 0.421 418 D N 6.684 127.208 120.400 0.206 0.000 2.427 418 D HA 0.360 5.003 4.640 0.006 0.000 0.226 418 D C -1.902 174.691 176.300 0.488 0.000 1.076 418 D CA -2.047 52.247 54.000 0.489 0.000 0.849 418 D CB 1.964 43.170 40.800 0.678 0.000 1.052 418 D HN 0.351 nan 8.370 nan 0.000 0.515 419 P HA -0.122 nan 4.420 nan 0.000 0.222 419 P C 0.663 177.667 177.300 -0.493 0.000 1.147 419 P CA 0.871 63.967 63.100 -0.007 0.000 0.790 419 P CB 0.206 31.790 31.700 -0.194 0.000 0.780 420 H N -2.208 116.643 119.070 -0.364 0.000 2.545 420 H HA -0.040 4.519 4.556 0.004 0.000 0.282 420 H C 0.836 175.957 175.328 -0.346 0.000 1.020 420 H CA 0.082 55.804 56.048 -0.544 0.000 1.243 420 H CB -1.031 28.726 29.762 -0.008 0.000 1.377 420 H HN 0.239 nan 8.280 nan 0.000 0.581 421 Y N 0.491 120.499 120.300 -0.487 0.000 2.702 421 Y HA -0.158 4.397 4.550 0.008 0.000 0.336 421 Y C 0.880 176.491 175.900 -0.482 0.000 1.235 421 Y CA 0.445 57.956 58.100 -0.983 0.000 1.492 421 Y CB 0.770 38.563 38.460 -1.112 0.000 1.308 421 Y HN 0.041 nan 8.280 nan 0.000 0.589 422 T N 3.458 117.412 114.554 -1.001 0.000 3.028 422 T HA 0.216 4.569 4.350 0.006 0.000 0.250 422 T C 0.638 174.927 174.700 -0.685 0.000 0.979 422 T CA 0.338 62.120 62.100 -0.531 0.000 1.004 422 T CB 0.102 68.843 68.868 -0.211 0.000 1.120 422 T HN 0.837 nan 8.240 nan 0.000 0.482 423 G N 1.136 109.302 108.800 -1.056 0.000 2.563 423 G HA2 0.588 4.552 3.960 0.006 0.000 0.283 423 G HA3 0.588 4.552 3.960 0.006 0.000 0.283 423 G C 0.179 174.757 174.900 -0.538 0.000 1.309 423 G CA -0.157 44.597 45.100 -0.578 0.000 1.022 423 G HN 0.512 nan 8.290 nan 0.000 0.501 424 A N -0.546 122.169 122.820 -0.176 0.000 2.577 424 A HA 0.245 4.569 4.320 0.006 0.000 0.233 424 A C 0.765 178.366 177.584 0.027 0.000 1.076 424 A CA 0.061 52.059 52.037 -0.065 0.000 0.767 424 A CB 0.116 19.101 19.000 -0.025 0.000 1.017 424 A HN 0.548 nan 8.150 nan 0.000 0.511 425 E N 1.273 121.484 120.200 0.019 0.000 2.860 425 E HA 0.038 4.391 4.350 0.006 0.000 0.318 425 E C -1.021 175.611 176.600 0.052 0.000 1.481 425 E CA 0.422 56.853 56.400 0.053 0.000 1.613 425 E CB -0.741 28.951 29.700 -0.013 0.000 1.279 425 E HN 0.476 nan 8.360 nan 0.000 0.489 426 D N 1.020 121.467 120.400 0.079 0.000 2.499 426 D HA 0.076 4.719 4.640 0.006 0.000 0.225 426 D C 1.187 177.497 176.300 0.017 0.000 1.124 426 D CA -0.288 53.741 54.000 0.048 0.000 0.938 426 D CB 0.727 41.565 40.800 0.063 0.000 1.014 426 D HN 0.070 nan 8.370 nan 0.000 0.517 427 L N 2.171 123.408 121.223 0.023 0.000 2.151 427 L HA -0.303 4.041 4.340 0.006 0.000 0.215 427 L C 1.934 178.819 176.870 0.025 0.000 1.084 427 L CA 1.878 56.734 54.840 0.027 0.000 0.764 427 L CB -0.032 42.046 42.059 0.032 0.000 0.891 427 L HN 0.417 nan 8.230 nan 0.000 0.435 428 Q N -0.777 119.038 119.800 0.024 0.000 1.993 428 Q HA -0.141 4.203 4.340 0.006 0.000 0.202 428 Q C 2.336 178.359 176.000 0.038 0.000 0.984 428 Q CA 2.115 57.937 55.803 0.032 0.000 0.837 428 Q CB -0.798 27.958 28.738 0.031 0.000 0.902 428 Q HN 0.507 nan 8.270 nan 0.000 0.423 429 V N 1.348 121.284 119.914 0.036 0.000 2.287 429 V HA -0.327 3.797 4.120 0.006 0.000 0.248 429 V C 2.496 178.627 176.094 0.063 0.000 1.053 429 V CA 2.006 64.343 62.300 0.062 0.000 1.027 429 V CB -0.751 31.120 31.823 0.079 0.000 0.646 429 V HN 0.348 nan 8.190 nan 0.000 0.447 430 M N -0.772 118.787 119.600 -0.069 0.000 2.151 430 M HA -0.266 4.218 4.480 0.006 0.000 0.256 430 M C 2.182 178.556 176.300 0.123 0.000 1.072 430 M CA 1.974 57.254 55.300 -0.032 0.000 1.090 430 M CB -0.627 31.938 32.600 -0.058 0.000 1.294 430 M HN 0.256 nan 8.290 nan 0.000 0.415 431 L N -0.446 120.820 121.223 0.072 0.000 2.044 431 L HA -0.123 4.220 4.340 0.006 0.000 0.205 431 L C 2.346 179.238 176.870 0.037 0.000 1.075 431 L CA 1.819 56.695 54.840 0.060 0.000 0.747 431 L CB -1.385 40.712 42.059 0.063 0.000 0.903 431 L HN 0.261 nan 8.230 nan 0.000 0.435 432 E N -0.457 119.768 120.200 0.041 0.000 2.158 432 E HA -0.098 4.255 4.350 0.006 0.000 0.191 432 E C 1.928 178.526 176.600 -0.004 0.000 0.982 432 E CA 0.761 57.175 56.400 0.023 0.000 0.823 432 E CB 0.175 29.895 29.700 0.033 0.000 0.766 432 E HN 0.070 nan 8.360 nan 0.000 0.468 433 K N -0.616 119.793 120.400 0.015 0.000 2.426 433 K HA 0.132 4.455 4.320 0.006 0.000 0.193 433 K C 0.335 176.718 176.600 -0.362 0.000 1.028 433 K CA 0.706 56.940 56.287 -0.089 0.000 1.047 433 K CB 0.415 32.989 32.500 0.124 0.000 0.821 433 K HN 0.234 nan 8.250 nan 0.000 0.513 434 G N 1.466 110.139 108.800 -0.211 0.000 2.385 434 G HA2 -0.200 3.764 3.960 0.006 0.000 0.294 434 G HA3 -0.200 3.764 3.960 0.006 0.000 0.294 434 G C 0.089 174.782 174.900 -0.346 0.000 1.070 434 G CA 0.178 45.139 45.100 -0.231 0.000 1.172 434 G HN 0.361 nan 8.290 nan 0.000 0.516 435 W N -0.966 120.299 121.300 -0.059 0.000 2.808 435 W HA 0.442 5.104 4.660 0.004 0.000 0.266 435 W C 1.678 178.149 176.519 -0.080 0.000 1.247 435 W CA 0.072 57.410 57.345 -0.012 0.000 1.440 435 W CB 0.312 29.786 29.460 0.023 0.000 1.040 435 W HN 0.597 nan 8.180 nan 0.000 0.606 436 C N 1.907 121.262 119.300 0.091 0.000 2.273 436 C HA 0.866 5.329 4.460 0.006 0.000 0.328 436 C C 0.465 175.391 174.990 -0.106 0.000 1.275 436 C CA 0.215 59.189 59.018 -0.072 0.000 1.704 436 C CB -0.821 26.887 27.740 -0.055 0.000 2.326 436 C HN 0.367 nan 8.230 nan 0.000 0.517 437 G N 4.647 113.313 108.800 -0.224 0.000 2.411 437 G HA2 0.391 4.355 3.960 0.006 0.000 0.295 437 G HA3 0.391 4.355 3.960 0.006 0.000 0.295 437 G C -1.827 172.870 174.900 -0.338 0.000 1.542 437 G CA -0.714 44.254 45.100 -0.219 0.000 0.814 437 G HN 0.757 nan 8.290 nan 0.000 0.557 438 W N 0.429 121.636 121.300 -0.154 0.000 2.313 438 W HA 0.713 5.377 4.660 0.006 0.000 0.328 438 W C 0.389 176.776 176.519 -0.220 0.000 1.197 438 W CA -0.097 57.144 57.345 -0.172 0.000 1.235 438 W CB 1.708 31.091 29.460 -0.128 0.000 1.158 438 W HN 0.434 nan 8.180 nan 0.000 0.578 439 K N 1.069 121.488 120.400 0.033 0.000 2.546 439 K HA 0.345 4.668 4.320 0.006 0.000 0.264 439 K C -0.458 176.131 176.600 -0.018 0.000 0.937 439 K CA -0.775 55.432 56.287 -0.133 0.000 0.833 439 K CB 1.987 34.163 32.500 -0.540 0.000 1.378 439 K HN 0.346 nan 8.250 nan 0.000 0.432 440 S N 0.867 116.559 115.700 -0.013 0.000 2.669 440 S HA 0.417 4.890 4.470 0.006 0.000 0.270 440 S C -1.702 172.942 174.600 0.074 0.000 1.225 440 S CA -1.026 57.200 58.200 0.044 0.000 0.991 440 S CB 0.687 63.899 63.200 0.019 0.000 0.987 440 S HN 0.421 nan 8.310 nan 0.000 0.552 441 P HA 0.019 nan 4.420 nan 0.000 0.234 441 P C 0.268 177.615 177.300 0.079 0.000 1.162 441 P CA 0.725 63.938 63.100 0.188 0.000 0.759 441 P CB -0.189 31.685 31.700 0.290 0.000 0.813 442 D N -1.552 118.873 120.400 0.043 0.000 2.264 442 D HA -0.127 4.516 4.640 0.006 0.000 0.208 442 D C 1.448 177.743 176.300 -0.009 0.000 0.966 442 D CA 0.558 54.574 54.000 0.025 0.000 0.864 442 D CB -0.693 40.118 40.800 0.018 0.000 0.933 442 D HN 0.080 nan 8.370 nan 0.000 0.499 443 F N 0.540 120.316 119.950 -0.290 0.000 2.026 443 F HA -0.088 4.442 4.527 0.006 0.000 0.296 443 F C 0.295 175.907 175.800 -0.314 0.000 1.133 443 F CA 0.887 58.623 58.000 -0.440 0.000 1.188 443 F CB -0.584 37.921 39.000 -0.824 0.000 0.968 443 F HN -0.090 nan 8.300 nan 0.000 0.476 444 W N 1.940 123.191 121.300 -0.082 0.000 2.295 444 W HA -0.002 4.661 4.660 0.005 0.000 0.335 444 W C 0.503 176.968 176.519 -0.089 0.000 1.351 444 W CA -0.695 56.535 57.345 -0.191 0.000 1.273 444 W CB -0.233 29.034 29.460 -0.323 0.000 1.214 444 W HN 0.050 nan 8.180 nan 0.000 0.563 445 N N 4.542 123.408 118.700 0.276 0.000 2.452 445 N HA -0.019 4.724 4.740 0.006 0.000 0.266 445 N C 0.275 175.914 175.510 0.215 0.000 1.175 445 N CA -0.282 52.863 53.050 0.159 0.000 0.945 445 N CB 0.525 39.055 38.487 0.073 0.000 1.063 445 N HN 0.223 nan 8.380 nan 0.000 0.472 446 K N 3.018 123.497 120.400 0.133 0.000 2.156 446 K HA 0.109 4.432 4.320 0.006 0.000 0.242 446 K C 0.004 176.655 176.600 0.084 0.000 1.033 446 K CA -0.041 56.317 56.287 0.117 0.000 0.878 446 K CB 0.311 32.860 32.500 0.082 0.000 1.057 446 K HN 0.705 nan 8.250 nan 0.000 0.505 447 D N -1.853 118.590 120.400 0.073 0.000 3.322 447 D HA -0.250 4.393 4.640 0.006 0.000 0.190 447 D C 0.416 176.729 176.300 0.022 0.000 1.485 447 D CA 2.399 56.425 54.000 0.042 0.000 2.184 447 D CB -1.502 39.307 40.800 0.016 0.000 1.315 447 D HN 0.820 nan 8.370 nan 0.000 0.435 448 A N 0.980 123.792 122.820 -0.014 0.000 2.425 448 A HA 0.428 4.751 4.320 0.006 0.000 0.242 448 A C 0.066 177.629 177.584 -0.036 0.000 1.077 448 A CA 0.114 52.053 52.037 -0.164 0.000 0.781 448 A CB 0.058 18.877 19.000 -0.301 0.000 1.020 448 A HN 0.360 nan 8.150 nan 0.000 0.494 449 Y N -0.937 119.310 120.300 -0.089 0.000 2.496 449 Y HA 0.754 5.308 4.550 0.007 0.000 0.331 449 Y C -1.168 174.615 175.900 -0.194 0.000 1.140 449 Y CA -2.195 55.902 58.100 -0.005 0.000 1.166 449 Y CB 0.536 38.991 38.460 -0.009 0.000 1.249 449 Y HN 0.520 nan 8.280 nan 0.000 0.479 450 Y N 0.808 121.227 120.300 0.199 0.000 2.442 450 Y HA 0.435 4.989 4.550 0.006 0.000 0.344 450 Y C -0.950 174.926 175.900 -0.041 0.000 0.976 450 Y CA -1.069 57.044 58.100 0.021 0.000 1.040 450 Y CB 2.040 40.350 38.460 -0.250 0.000 1.228 450 Y HN 0.651 nan 8.280 nan 0.000 0.451 451 N N 2.621 121.349 118.700 0.047 0.000 2.405 451 N HA 0.564 5.307 4.740 0.006 0.000 0.299 451 N C -1.528 173.926 175.510 -0.093 0.000 1.075 451 N CA -0.653 52.325 53.050 -0.119 0.000 0.884 451 N CB 1.439 39.772 38.487 -0.256 0.000 1.194 451 N HN 0.402 nan 8.380 nan 0.000 0.491 452 L N 1.035 122.178 121.223 -0.133 0.000 2.322 452 L HA 0.470 4.814 4.340 0.006 0.000 0.281 452 L C -0.532 176.251 176.870 -0.145 0.000 1.014 452 L CA -0.805 53.958 54.840 -0.128 0.000 0.815 452 L CB 1.697 43.671 42.059 -0.142 0.000 1.247 452 L HN 0.547 nan 8.230 nan 0.000 0.421 453 C N 5.169 124.387 119.300 -0.136 0.000 2.273 453 C HA 0.553 5.016 4.460 0.006 0.000 0.328 453 C C -0.041 174.827 174.990 -0.203 0.000 1.275 453 C CA -0.459 58.473 59.018 -0.143 0.000 1.704 453 C CB -0.033 27.643 27.740 -0.108 0.000 2.326 453 C HN 0.533 nan 8.230 nan 0.000 0.517 454 L N 9.183 130.276 121.223 -0.216 0.000 2.301 454 L HA 0.432 4.775 4.340 0.006 0.000 0.278 454 L C -2.150 174.650 176.870 -0.117 0.000 1.022 454 L CA -1.462 53.192 54.840 -0.310 0.000 0.854 454 L CB 1.215 43.041 42.059 -0.389 0.000 1.226 454 L HN 0.479 nan 8.230 nan 0.000 0.429 455 P HA 0.208 nan 4.420 nan 0.000 0.282 455 P C -0.868 176.477 177.300 0.074 0.000 1.262 455 P CA -0.534 62.587 63.100 0.036 0.000 0.773 455 P CB 0.725 32.524 31.700 0.165 0.000 0.879 456 Q N 2.668 122.501 119.800 0.056 0.000 2.259 456 Q HA 0.283 4.627 4.340 0.006 0.000 0.246 456 Q C 0.324 176.373 176.000 0.081 0.000 0.920 456 Q CA -0.398 55.423 55.803 0.030 0.000 0.895 456 Q CB 1.006 29.748 28.738 0.007 0.000 1.220 456 Q HN 0.357 nan 8.270 nan 0.000 0.439 457 R N 2.758 123.262 120.500 0.006 0.000 2.404 457 R HA 0.158 4.501 4.340 0.006 0.000 0.315 457 R C -1.764 174.527 176.300 -0.015 0.000 1.032 457 R CA -1.017 55.054 56.100 -0.048 0.000 0.992 457 R CB -0.243 30.073 30.300 0.027 0.000 0.959 457 R HN 0.399 nan 8.270 nan 0.000 0.428 458 P HA 0.047 nan 4.420 nan 0.000 0.277 458 P C -0.831 176.600 177.300 0.219 0.000 1.276 458 P CA -0.484 62.662 63.100 0.077 0.000 0.788 458 P CB 0.553 32.315 31.700 0.103 0.000 1.114 459 N N -0.767 118.043 118.700 0.183 0.000 2.420 459 N HA 0.520 5.264 4.740 0.006 0.000 0.249 459 N C -1.014 174.605 175.510 0.181 0.000 1.033 459 N CA 0.051 53.211 53.050 0.184 0.000 0.944 459 N CB 0.152 38.710 38.487 0.118 0.000 1.113 459 N HN 0.475 nan 8.380 nan 0.000 0.502 460 A N 2.285 125.216 122.820 0.184 0.000 2.566 460 A HA 0.616 4.940 4.320 0.006 0.000 0.297 460 A C -1.200 176.369 177.584 -0.025 0.000 1.059 460 A CA -0.769 51.315 52.037 0.079 0.000 0.691 460 A CB 0.764 19.825 19.000 0.102 0.000 1.282 460 A HN 0.594 nan 8.150 nan 0.000 0.401 461 L N 0.000 121.190 121.223 -0.054 0.000 2.949 461 L HA 0.000 4.344 4.340 0.006 0.000 0.249 461 L CA 0.000 54.778 54.840 -0.104 0.000 0.813 461 L CB 0.000 41.903 42.059 -0.260 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502